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"C#Cc1ccccc1>>O=C(C#Cc1ccccc1)c1ccc(-c2ccccc2)cc1", + "C#CCN.COC(=O)C#Cc1ccc(C#N)cc1>>COC(=O)c1cccnc1-c1ccc(C#N)cc1", + "Cc1cc(C)c(C=O)c(C)c1>>Cc1cc(C)c(C(=O)c2cccnc2-c2ccccc2)c(C)c1", + "OC(C#Cc1ccccc1)c1ccco1>>O=C(C#Cc1ccccc1)c1ccco1", + "C#Cc1ccccc1.O=Cc1ccc(Br)cc1>>OC(C#Cc1ccccc1)c1ccc(Br)cc1", + "O=Cc1ccco1>>O=C(C#Cc1ccccc1)c1ccco1", + "C#Cc1ccccc1.O=Cc1ccccc1>>OC(C#Cc1ccccc1)c1ccccc1", + "OC(C#Cc1ccccc1)c1ccc(Br)cc1>>O=C(C#Cc1ccccc1)c1ccc(Br)cc1", + "COc1ccc(C(O)C#Cc2ccccc2)cc1>>COc1ccc(C(=O)C#Cc2ccccc2)cc1" + ], + "acs.joc.3c00999.pdf": [ + "Oc1ccc(O)n1Cl.Sc1cccs1>>Oc1ccc(O)n1Sc1cccs1", + "Cc1ccc(S)cc1>>Cc1ccc(S(=NC(=O)C(C)(C)C)N2CCC3(CC2)OCCO3)cc1", + "Oc1ccc(O)n1Sc1ccc(Cl)cc1>>CC(C)(C)C(=O)N=S(c1ccc(Cl)cc1)N1CCOCC1", + "Oc1ccc(O)n1Sc1ccccc1Cl>>CC(C)(C)C(=O)N=S(c1ccccc1Cl)N1CCOCC1", + "Cc1occc1S>>Cc1occc1SNC(=O)C(C)(C)C", + "C1CC2(CCN1)OCCO2.Cc1ccc(SNC(=O)C(C)(C)C)cc1>>Cc1ccc(S(=NC(=O)C(C)(C)C)N2CCC3(CC2)OCCO3)cc1", + "C1COCCN1.CC(C)(C)C(=O)NSc1cccs1>>CC(C)(C)C(=O)N=S(c1cccs1)N1CCOCC1", + "Oc1ccc(O)n1Sc1cccc(F)c1>>CC(C)(C)C(=O)N=S(c1cccc(F)c1)N1CCOCC1", + "CC(C)(C)c1ccc(S)cc1>>CC(C)(C)C(=O)NSc1ccc(C(C)(C)C)cc1", + "Cc1ccc(Sn2c(O)ccc2O)cc1>>CCN(CC)S(=NC(=O)C(C)(C)C)c1ccc(C)cc1", + "CC(C)(C)C(N)=O.Oc1ccc(O)n1Sc1cccc(Cl)c1>>CC(C)(C)C(=O)NSc1cccc(Cl)c1", + "Sc1ccccc1>>CC(C)(C)C(=O)NSc1ccccc1", + "C1COCCN1.CC(C)(C)C(=O)NSc1ccccc1F>>CC(C)(C)C(=O)N=S(c1ccccc1F)N1CCOCC1", + "Oc1ccc(O)n1Sc1ccc(C(F)(F)F)cc1>>CC(C)(C)C(=O)N=S(c1ccc(C(F)(F)F)cc1)N1CCOCC1", + "Cc1ccc(S)cc1>>Cc1ccc(S(=NC(=O)C(C)(C)C)N2CCC(C)CC2)cc1", + "CC(C)(C)C(N)=O.Oc1ccc(O)n1Sc1ccc2ccccc2c1>>CC(C)(C)C(=O)NSc1ccc2ccccc2c1", + "Cc1ccc(S)cc1>>Cc1ccc(SNC(=O)C(C)(C)C)cc1", + "Sc1ccccc1Br>>CC(C)(C)C(=O)N=S(c1ccccc1Br)N1CCOCC1", + "FC(F)(F)c1ccc(S)cc1.Oc1ccc(O)n1Cl>>Oc1ccc(O)n1Sc1ccc(C(F)(F)F)cc1", + "CC(C)(C)C(N)=O.Oc1ccc(O)n1Sc1cccc(F)c1>>CC(C)(C)C(=O)NSc1cccc(F)c1", + "C1COCCN1.CC(C)(C)C(=O)NSc1cccc(Cl)c1>>CC(C)(C)C(=O)N=S(c1cccc(Cl)c1)N1CCOCC1", + "Sc1ccccc1Cl>>CC(C)(C)C(=O)N=S(c1ccccc1Cl)N1CCOCC1", + "Cc1ccc(Sn2c(O)ccc2O)cc1>>Cc1ccc(S(=NC(=O)C(C)(C)C)NCc2ccccc2)cc1", + "Cc1ccc(Sn2c(O)ccc2O)cc1>>Cc1ccc(S(=NC(=O)C(C)(C)C)N(C)Cc2ccccc2)cc1", + "Fc1ccc(S)cc1.Oc1ccc(O)n1Cl>>Oc1ccc(O)n1Sc1ccc(F)cc1", + "Cc1ccc(Sn2c(O)ccc2O)cc1>>Cc1ccc(S(=NC(=O)C(C)(C)C)N2CCC3(CC2)OCCO3)cc1", + "CC(C)(C)C(N)=O.Oc1ccc(O)n1Sc1ccccc1Cl>>CC(C)(C)C(=O)NSc1ccccc1Cl", + "CC(C)(C)C(N)=O.CC(C)(C)c1ccc(Sn2c(O)ccc2O)cc1>>CC(C)(C)C(=O)NSc1ccc(C(C)(C)C)cc1", + "Fc1ccccc1S.Oc1ccc(O)n1Cl>>Oc1ccc(O)n1Sc1ccccc1F", + "CC(C)(C)c1ccc(Sn2c(O)ccc2O)cc1>>CC(C)(C)C(=O)N=S(c1ccc(C(C)(C)C)cc1)N1CCOCC1", + "COc1ccc(Sn2c(O)ccc2O)cc1>>COc1ccc(S(=NC(=O)C(C)(C)C)N2CCOCC2)cc1", + "Cc1ccc(S)cc1>>CCN(CC)S(=NC(=O)C(C)(C)C)c1ccc(C)cc1", + "C1COCCN1.CC(C)(C)C(=O)NSc1ccc(C(C)(C)C)cc1>>CC(C)(C)C(=O)N=S(c1ccc(C(C)(C)C)cc1)N1CCOCC1", + "Fc1ccccc1S>>CC(C)(C)C(=O)N=S(c1ccccc1F)N1CCOCC1", + "Cc1ccc(S)cc1.Oc1ccc(O)n1Cl>>Cc1ccc(Sn2c(O)ccc2O)cc1", + "C1COCCN1.CC(C)(C)C(=O)NSc1ccccc1>>CC(C)(C)C(=O)N=S(c1ccccc1)N1CCOCC1", + "Cc1ccc(Sn2c(O)ccc2O)cc1>>Cc1ccc(S(=NC(=O)C(C)(C)C)N2CCOCC2)cc1", + "CC(C)(C)c1ccc(S)cc1>>CC(C)(C)C(=O)N=S(c1ccc(C(C)(C)C)cc1)N1CCOCC1", + "C1COCCN1.CC(C)(C)C(=O)NSc1ccc2ccccc2c1>>CC(C)(C)C(=O)N=S(c1ccc2ccccc2c1)N1CCOCC1", + "Cc1ccc(S)cc1>>CCN(Cc1ccccc1)S(=NC(=O)C(C)(C)C)c1ccc(C)cc1", + "COc1ccc(S)cc1>>COc1ccc(S(=NC(=O)C(C)(C)C)N2CCOCC2)cc1", + "COc1ccc(S)cc1>>COc1ccc(SNC(=O)C(C)(C)C)cc1", + "Oc1ccc(O)n1Cl.Sc1ccccc1Br>>Oc1ccc(O)n1Sc1ccccc1Br", + "Oc1ccc(O)n1Sc1ccccc1>>CC(C)(C)C(=O)N=S(c1ccccc1)N1CCOCC1", + "Fc1cccc(S)c1>>CC(C)(C)C(=O)N=S(c1cccc(F)c1)N1CCOCC1", + "Cc1cccc(Sn2c(O)ccc2O)c1>>Cc1cccc(S(=NC(=O)C(C)(C)C)N2CCOCC2)c1", + "Cc1ccc(Sn2c(O)ccc2O)cc1>>Cc1ccc(S(=NC(=O)C(C)(C)C)N2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)cc1", + "C1COCCN1.CC(C)(C)C(=O)NSc1ccc(C(F)(F)F)cc1>>CC(C)(C)C(=O)N=S(c1ccc(C(F)(F)F)cc1)N1CCOCC1", + "CC(C)(C)C(N)=O.Oc1ccc(O)n1Sc1ccccc1Br>>CC(C)(C)C(=O)NSc1ccccc1Br", + "C1COCCN1.Cc1cccc(SNC(=O)C(C)(C)C)c1>>Cc1cccc(S(=NC(=O)C(C)(C)C)N2CCOCC2)c1", + "C1COCCN1.CC(C)(C)C(=O)NSc1ccc(F)cc1>>CC(C)(C)C(=O)N=S(c1ccc(F)cc1)N1CCOCC1", + "COc1ccc(S)cc1.Oc1ccc(O)n1Cl>>COc1ccc(Sn2c(O)ccc2O)cc1", + "C1COCCN1.COc1ccc(C(=O)NSc2ccc(C)cc2)cc1>>COc1ccc(C(=O)N=S(c2ccc(C)cc2)N2CCOCC2)cc1", + "C1COCCN1.Cc1ccc(SNC(=O)C(C)C)cc1>>Cc1ccc(S(=NC(=O)C(C)C)N2CCOCC2)cc1", + "Cc1occc1S>>Cc1occc1S(=NC(=O)C(C)(C)C)N1CCOCC1", + "Fc1ccc(S)cc1>>CC(C)(C)C(=O)NSc1ccc(F)cc1", + "Cc1occc1S.Oc1ccc(O)n1Cl>>Cc1occc1Sn1c(O)ccc1O", + "CC(C)(C)C(N)=O.Oc1ccc(O)n1Sc1ccccc1>>CC(C)(C)C(=O)NSc1ccccc1", + "C1CCNC1.Cc1ccc(SNC(=O)C(C)(C)C)cc1>>Cc1ccc(S(=NC(=O)C(C)(C)C)N2CCCC2)cc1", + "CC(C)(C)C(N)=O.Oc1ccc(O)n1Sc1ccc(Cl)cc1>>CC(C)(C)C(=O)NSc1ccc(Cl)cc1", + "Cc1ccc(SNC(=O)C(C)(C)C)cc1.FC(F)(F)Oc1ccc(OC2CCNCC2)cc1>>Cc1ccc(S(=NC(=O)C(C)(C)C)N2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)cc1", + "C1COCCN1.Cc1ccc(SNC(=O)Cc2cccc3ccccc23)cc1>>Cc1ccc(S(=NC(=O)Cc2cccc3ccccc23)N2CCOCC2)cc1", + "Cc1ccc(Sn2c(O)ccc2O)cc1>>Cc1ccc(S(=NC(=O)C(C)(C)C)N2CCN(c3ncccn3)CC2)cc1", + "C1COCCN1.Cc1ccc(SNC(=O)c2ccc3ccccc3c2)cc1>>Cc1ccc(S(=NC(=O)c2ccc3ccccc3c2)N2CCOCC2)cc1", + "Cc1ccc(S)cc1>>Cc1ccc(S(=NC(=O)C(C)(C)C)N(C)Cc2ccccc2)cc1", + "Oc1ccc(O)n1Cl.Sc1cccc(Br)c1>>Oc1ccc(O)n1Sc1cccc(Br)c1", + "Cc1ccc(S)cc1>>Cc1ccc(S(=NC(=O)C(C)(C)C)N2CCCC2)cc1", + "Oc1ccc(O)n1Cl.Sc1cccc(Cl)c1>>Oc1ccc(O)n1Sc1cccc(Cl)c1", + "Cc1ccc(S)cc1>>Cc1ccc(S(=NC(=O)C(C)(C)C)N2CCN(c3ncccn3)CC2)cc1", + "C1COCCN1.CC(C)(C)C(=O)NSc1ccccc1Br>>CC(C)(C)C(=O)N=S(c1ccccc1Br)N1CCOCC1", + "C1COCCN1.CC(C)(C)C(=O)NSc1cccc(F)c1>>CC(C)(C)C(=O)N=S(c1cccc(F)c1)N1CCOCC1", + "C1COCCN1.CC(C)(C)C(=O)NSc1ccc(Br)cc1>>CC(C)(C)C(=O)N=S(c1ccc(Br)cc1)N1CCOCC1", + "Fc1cccc(S)c1>>CC(C)(C)C(=O)NSc1cccc(F)c1", + "Cc1cccc(S)c1.Oc1ccc(O)n1Cl>>Cc1cccc(Sn2c(O)ccc2O)c1", + "Oc1ccc(O)n1Sc1ccccc1Br>>CC(C)(C)C(=O)N=S(c1ccccc1Br)N1CCOCC1", + "C1COCCN1.Cc1ccc(SNC(=O)C(C)(C)C)cc1>>Cc1ccc(S(=NC(=O)C(C)(C)C)N2CCOCC2)cc1", + "C1COCCN1.CC(C)(C)C(=O)NSc1ccc(Cl)cc1>>CC(C)(C)C(=O)N=S(c1ccc(Cl)cc1)N1CCOCC1", + "Cc1ccc(S)cc1>>Cc1ccc(S(=NC(=O)C(C)(C)C)N2CCOCC2)cc1", + "Oc1ccc(O)n1Cl.Sc1ccc2ccccc2c1>>Oc1ccc(O)n1Sc1ccc2ccccc2c1", + "Cc1ccc(S)cc1>>Cc1ccc(S(=NC(=O)C(C)(C)C)N2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)cc1", + "Sc1cccc(Cl)c1>>CC(C)(C)C(=O)N=S(c1cccc(Cl)c1)N1CCOCC1", + "Cc1cccc(S)c1>>Cc1cccc(S(=NC(=O)C(C)(C)C)N2CCOCC2)c1", + "CC(C)(C)C(N)=O.Cc1ccc(Sn2c(O)ccc2O)cc1>>Cc1ccc(SNC(=O)C(C)(C)C)cc1", + "CC(C)(C)C(N)=O.Oc1ccc(O)n1Sc1cccc(Br)c1>>CC(C)(C)C(=O)NSc1cccc(Br)c1", + "Fc1ccccc1S>>CC(C)(C)C(=O)NSc1ccccc1F", + "Cc1ccc(Sn2c(O)ccc2O)cc1>>Cc1ccc(S(=NC(=O)C(C)(C)C)N2CCC(C)CC2)cc1", + "Sc1ccc(Br)cc1>>CC(C)(C)C(=O)N=S(c1ccc(Br)cc1)N1CCOCC1", + "CC(C)(C)C(N)=O.Oc1ccc(O)n1Sc1ccccc1F>>CC(C)(C)C(=O)NSc1ccccc1F", + "Oc1ccc(O)n1Sc1ccccc1F>>CC(C)(C)C(=O)N=S(c1ccccc1F)N1CCOCC1", + "Sc1cccc(Br)c1>>CC(C)(C)C(=O)N=S(c1cccc(Br)c1)N1CCOCC1", + "Sc1ccc(Cl)cc1>>CC(C)(C)C(=O)N=S(c1ccc(Cl)cc1)N1CCOCC1", + 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"O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1>>O=[N+]([O-])c1ccc(C2=Nc3ccccc3C(c3ccccc3)O2)cc1", + "Nc1ccccc1C(=O)c1ccc(Br)cc1.O=C(Cl)c1ccccc1>>O=C(Nc1ccccc1C(=O)c1ccc(Br)cc1)c1ccccc1", + "O=C(Cl)c1ccoc1>>c1ccc(C2OC(c3ccoc3)=Nc3ccccc32)cc1", + "O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(Cl)cc1>>Clc1ccc(C2=Nc3ccccc3C(c3ccccc3)O2)cc1", + "COc1ccc(C(=NNS(=O)(=O)c2ccc(C)cc2)c2ccccc2NC(=O)c2ccccc2)cc1>>COc1ccc(C2OC(c3ccccc3)=Nc3ccccc32)cc1", + "O=C(Nc1ccccc1C(=O)c1ccc(Br)cc1)c1ccccc1>>Brc1ccc(C2OC(c3ccccc3)=Nc3ccccc32)cc1", + "N#Cc1ccccc1N>>Cc1ccc(S(=O)(=O)NN=C(c2ccc(C(C)(C)C)cc2)c2ccccc2NC(=O)c2ccccc2)cc1", + "COc1ccc(C(=O)Nc2ccccc2C(=NNS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1>>COc1ccc(C2=Nc3ccccc3C(c3ccccc3)O2)cc1", + "N#Cc1ccccc1N.OB(O)c1ccc(F)cc1>>Nc1ccccc1C(=O)c1ccc(F)cc1", + "Cc1ccc(S(=O)(=O)NN)cc1.O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1)c1ccccc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2cc(Br)ccc2NC(=O)c2ccccc2)cc1", + "O=C(Cl)c1ccccc1Br>>Brc1ccccc1C1=Nc2ccccc2C(c2ccccc2)O1", + "Brc1cccc(C2=Nc3ccccc3C(c3ccccc3)O2)c1.COc1cccc(B(O)O)c1>>COc1cccc(-c2cccc(C3=Nc4ccccc4C(c4ccccc4)O3)c2)c1", + "Nc1ccccc1C(=O)c1ccccc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2cccc(Br)c2)cc1", + "Cc1ccc(B(O)O)cc1.N#Cc1ccccc1N>>Cc1ccc(C(=O)c2ccccc2N)cc1", + "OB(O)c1ccc(F)cc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccc(F)cc2)c2ccccc2NC(=O)c2ccccc2)cc1", + "Nc1ccccc1C(=O)c1ccccc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2ccsc2)cc1", + "Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2ccsc2)cc1>>c1ccc(C2OC(c3ccsc3)=Nc3ccccc32)cc1", + "Nc1ccccc1C(=O)c1ccccc1>>N#Cc1ccc(C2=Nc3ccccc3C(c3ccccc3)O2)cc1", + "Cc1ccc(B(O)O)cc1>>Cc1ccc(C(=O)c2ccccc2NC(=O)c2ccccc2)cc1", + "Nc1ccccc1C(=O)c1ccccc1>>COc1cc(C2=Nc3ccccc3C(c3ccccc3)O2)cc(OC)c1OC", + "N#Cc1cc(Cl)ccc1N.OB(O)c1ccccc1>>Nc1ccc(Cl)cc1C(=O)c1ccccc1", + "Cc1ccc(S(=O)(=O)NN=C(c2ccc(Br)cc2)c2ccccc2NC(=O)c2ccccc2)cc1>>Brc1ccc2c(c1)C(c1ccccc1)OC(c1ccccc1)=N2", + "O=C(Nc1ccccc1C(=O)c1ccc(F)cc1)c1ccccc1>>Fc1ccc(C2OC(c3ccccc3)=Nc3ccccc32)cc1", + "CC(=O)c1ccccc1NC(=O)c1ccccc1.Cc1ccc(S(=O)(=O)NN)cc1>>CC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccccc1NC(=O)c1ccccc1", + "Nc1ccccc1C(=O)c1ccccc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2ccccc2)cc1", + "N#Cc1cc(Br)ccc1N.OB(O)c1ccccc1>>Nc1ccc(Br)cc1C(=O)c1ccccc1", + "Cc1ccc(C(=O)c2ccccc2)c(NC(=O)c2ccccc2)c1.Cc1ccc(S(=O)(=O)NN)cc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccc(C)cc2NC(=O)c2ccccc2)cc1", + "N#Cc1ccccc1N>>CC(C)(C)c1ccc(C(=O)c2ccccc2NC(=O)c2ccccc2)cc1", + "Cc1ccc(S(=O)(=O)NN)cc1.O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(F)cc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2ccc(F)cc2)cc1", + "Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2cccc(Br)c2)cc1>>COc1ccc(Nc2cccc(C3=Nc4ccccc4C(c4ccccc4)O3)c2)cc1", + "O=C(Cl)c1ccc2c(c1)OCO2>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2ccc3c(c2)OCO3)cc1", + "Cc1ccc(S(=O)(=O)NN)cc1.O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccccc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2ccccc2)cc1", + "Nc1ccccc1C(=O)c1ccccc1>>COc1ccc(C(=O)Nc2ccccc2C(=NNS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1", + "Nc1ccc(Br)cc1C(=O)c1ccccc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2cc(Br)ccc2NC(=O)c2ccccc2)cc1", + "Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2ccc(Cl)cc2)cc1>>Clc1ccc(C2=Nc3ccccc3C(c3ccccc3)O2)cc1", + "Nc1ccccc1C(=O)c1ccccc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2ccc(C#N)cc2)cc1", + "Cc1ccc(S(=O)(=O)NN)cc1.O=C(Nc1ccccc1C(=O)c1ccc(Br)cc1)c1ccccc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccc(Br)cc2)c2ccccc2NC(=O)c2ccccc2)cc1", + "OB(O)c1ccc(Cl)cc1>>Clc1ccc2c(c1)C(c1ccccc1)OC(c1ccccc1)=N2", + "CC(C)(C)c1ccc(B(O)O)cc1>>CC(C)(C)c1ccc(C(=O)c2ccccc2NC(=O)c2ccccc2)cc1", + "O=C(Cl)c1cccc(Br)c1>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2cccc(Br)c2)cc1", + "N#Cc1ccccc1N>>COc1cccc(C(=O)c2ccccc2NC(=O)c2ccccc2)c1", + "O=C(Cl)c1ccccc1>>O=C(Nc1ccccc1C(=NNS(=O)(=O)c1ccccc1)c1ccccc1)c1ccccc1", + "N#Cc1ccccc1N>>Clc1ccc(C2OC(c3ccccc3)=Nc3ccccc32)cc1", + "N#Cc1ccccc1N>>Fc1ccc(C2OC(c3ccccc3)=Nc3ccccc32)cc1", + "Nc1ccccc1C(=O)c1ccccc1>>c1ccc(C2=Nc3ccccc3C(c3ccccc3)O2)cc1", + "O=C(Cl)c1ccc(Br)cc1>>Brc1ccc(C2=Nc3ccccc3C(c3ccccc3)O2)cc1", + "O=C(Nc1ccccc1C(=O)c1ccc(Cl)cc1)c1ccccc1>>Clc1ccc2c(c1)C(c1ccccc1)OC(c1ccccc1)=N2", + "N#Cc1ccccc1N>>COc1cccc(C(=NNS(=O)(=O)c2ccc(C)cc2)c2ccccc2NC(=O)c2ccccc2)c1", + "Nc1ccccc1C(=O)c1ccccc1.O=C(Cl)c1ccc(Cl)cc1>>O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(Cl)cc1", + "Nc1ccccc1C(=O)c1ccccc1>>c1ccc(C2OC(c3ccsc3)=Nc3ccccc32)cc1", + "Nc1ccccc1C(=O)c1ccccc1>>COc1ccc(Nc2cccc(C3=Nc4ccccc4C(c4ccccc4)O3)c2)cc1", + "O=C(Nc1ccccc1C(=NNS(=O)(=O)c1ccccc1)c1ccccc1)c1ccccc1>>c1ccc(C2=Nc3ccccc3C(c3ccccc3)O2)cc1", + "Nc1ccccc1C(=O)c1ccc(F)cc1>>Fc1ccc(C2OC(c3ccccc3)=Nc3ccccc32)cc1", + "COc1ccccc1C(=O)c1ccccc1N>>COc1ccccc1C(=NNS(=O)(=O)c1ccc(C)cc1)c1ccccc1NC(=O)c1ccccc1", + "Cc1ccc(S(=O)(=O)NN)cc1.O=C(Nc1ccccc1C(=O)c1ccccc1)c1cccc(Br)c1>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2cccc(Br)c2)cc1", + "OB(O)c1ccccc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2cc(Br)ccc2NC(=O)c2ccccc2)cc1", + "N#Cc1ccccc1N>>Cc1ccc(S(=O)(=O)NN=C(c2ccc(Cl)cc2)c2ccccc2NC(=O)c2ccccc2)cc1", + "COc1ccc(C(=O)c2ccccc2N)cc1.O=C(Cl)c1ccccc1>>COc1ccc(C(=O)c2ccccc2NC(=O)c2ccccc2)cc1", + "Cc1ccc(S(=O)(=O)NN)cc1.O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccccc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2cc(Cl)ccc2NC(=O)c2ccccc2)cc1", + "CC(C)(C)c1ccc(B(O)O)cc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccc(C(C)(C)C)cc2)c2ccccc2NC(=O)c2ccccc2)cc1", + "N#Cc1ccccc1N>>Cc1ccc(C2OC(c3ccccc3)=Nc3ccccc32)cc1", + "Nc1ccccc1C(=O)c1ccc(Cl)cc1>>Clc1ccc(C2OC(c3ccccc3)=Nc3ccccc32)cc1", + "O=C(Cl)c1ccccc1>>Brc1ccc(C2OC(c3ccccc3)=Nc3ccccc32)cc1", + "Nc1ccccc1C(=O)c1ccc(Br)cc1>>Brc1ccc2c(c1)C(c1ccccc1)OC(c1ccccc1)=N2", + "N#Cc1cc(Br)ccc1N>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2cc(Br)ccc2NC(=O)c2ccccc2)cc1", + "Nc1ccccc1C(=O)c1ccccc1>>O=[N+]([O-])c1ccc(C2=Nc3ccccc3C(c3ccccc3)O2)cc1", + "CC(C)(C)c1ccc(C(=O)c2ccccc2N)cc1>>CC(C)(C)c1ccc(C2OC(c3ccccc3)=Nc3ccccc32)cc1", + "O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(F)cc1>>Fc1ccc(C2=Nc3ccccc3C(c3ccccc3)O2)cc1", + "O=C(Cl)c1cccc(Br)c1>>Brc1cccc(C2=Nc3ccccc3C(c3ccccc3)O2)c1", + "Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2ccc3c(c2)OCO3)cc1>>c1ccc(C2OC(c3ccc4c(c3)OCO4)=Nc3ccccc32)cc1", + "N#Cc1ccccc1N>>COc1cccc(C2OC(c3ccccc3)=Nc3ccccc32)c1", + "COc1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1.Cc1ccc(S(=O)(=O)NN)cc1>>COc1ccc(C(=O)Nc2ccccc2C(=NNS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1", + "O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccsc1>>c1ccc(C2OC(c3ccsc3)=Nc3ccccc32)cc1", + "Cc1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1.Cc1ccc(S(=O)(=O)NN)cc1>>Cc1ccc(C(=O)Nc2ccccc2C(=NNS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1", + "Cc1ccc(C(=O)c2ccccc2N)cc1.O=C(Cl)c1ccccc1>>Cc1ccc(C(=O)c2ccccc2NC(=O)c2ccccc2)cc1", + "COc1cc(C(=O)Nc2ccccc2C(=O)c2ccccc2)cc(OC)c1OC.Cc1ccc(S(=O)(=O)NN)cc1>>COc1cc(C(=O)Nc2ccccc2C(=NNS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc(OC)c1OC", + "O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccoc1>>c1ccc(C2OC(c3ccoc3)=Nc3ccccc32)cc1", + "OB(O)c1ccccc1>>COc1ccc(C(=NNS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c(NC(=O)c2ccccc2)c1", + "Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2cccc3ccccc23)cc1>>c1ccc(C2OC(c3cccc4ccccc34)=Nc3ccccc32)cc1", + "Nc1ccc(Br)cc1C(=O)c1ccccc1.O=C(Cl)c1ccccc1>>O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1)c1ccccc1", + "OB(O)c1ccccc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2cc(Cl)ccc2NC(=O)c2ccccc2)cc1", + "Nc1ccccc1C(=O)c1ccccc1>>Fc1ccc(C2=Nc3ccccc3C(c3ccccc3)O2)cc1", + "Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1>>O=[N+]([O-])c1ccc(C2=Nc3ccccc3C(c3ccccc3)O2)cc1", + "Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2cccc(Br)c2)cc1>>Brc1cccc(C2=Nc3ccccc3C(c3ccccc3)O2)c1", + "Nc1ccccc1C(=O)c1ccccc1>>c1ccc(C2OC(c3ccc4c(c3)OCO4)=Nc3ccccc32)cc1", + "O=C(Cl)c1ccc(Br)cc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2ccc(Br)cc2)cc1", + "Cc1ccc(S(=O)(=O)NN)cc1.O=C(Nc1ccccc1C(=O)c1ccc(Cl)cc1)c1ccccc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccc(Cl)cc2)c2ccccc2NC(=O)c2ccccc2)cc1", + "COc1ccc(B(O)O)cc1>>COc1ccc(C2OC(c3ccccc3)=Nc3ccccc32)cc1", + "COc1ccc(C(=O)c2ccccc2N)cc1>>COc1ccc(C2OC(c3ccccc3)=Nc3ccccc32)cc1", + "O=C(Cl)c1cccc(Br)c1>>COc1ccc(Nc2cccc(C3=Nc4ccccc4C(c4ccccc4)O3)c2)cc1", + "CC(C)(C)c1ccc(C(=O)c2ccccc2NC(=O)c2ccccc2)cc1>>CC(C)(C)c1ccc(C2OC(c3ccccc3)=Nc3ccccc32)cc1", + "O=C(Cl)c1cccc(Br)c1>>COc1cccc(-c2cccc(C3=Nc4ccccc4C(c4ccccc4)O3)c2)c1", + "COc1cccc(C(=O)c2ccccc2NC(=O)c2ccccc2)c1.Cc1ccc(S(=O)(=O)NN)cc1>>COc1cccc(C(=NNS(=O)(=O)c2ccc(C)cc2)c2ccccc2NC(=O)c2ccccc2)c1", + "O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc2ccccc2c1>>c1ccc(C2OC(c3cccc4ccccc34)=Nc3ccccc32)cc1", + "Nc1ccccc1C(=O)c1ccccc1>>COc1ccc(C2=Nc3ccccc3C(c3ccccc3)O2)cc1", + "OB(O)c1ccccc1>>Cc1ccc(C(=O)c2ccccc2)c(NC(=O)c2ccccc2)c1", + "COc1ccc(B(O)O)cc1.N#Cc1ccccc1N>>COc1ccc(C(=O)c2ccccc2N)cc1", + "COc1ccc(C(=O)Cl)cc1>>COc1ccc(C(=O)Nc2ccccc2C(=NNS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1", + "Nc1ccccc1C(=O)c1ccccc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2ccoc2)cc1", + "Nc1ccccc1C(=O)c1ccccc1>>Brc1ccccc1C1=Nc2ccccc2C(c2ccccc2)O1", + "Cc1ccc(C(=O)c2ccccc2N)cc1>>Cc1ccc(C(=NNS(=O)(=O)c2ccc(C)cc2)c2ccccc2NC(=O)c2ccccc2)cc1", + "Cc1ccc(S(=O)(=O)NN)cc1.N#Cc1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2ccc(C#N)cc2)cc1", + "COc1ccc(C(=O)c2ccccc2NC(=O)c2ccccc2)cc1.Cc1ccc(S(=O)(=O)NN)cc1>>COc1ccc(C(=NNS(=O)(=O)c2ccc(C)cc2)c2ccccc2NC(=O)c2ccccc2)cc1", + "Nc1ccccc1C(=O)c1ccccc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1", + "CC(=O)c1ccccc1N>>CC1OC(c2ccccc2)=Nc2ccccc21", + "COc1ccccc1B(O)O.N#Cc1ccccc1N>>COc1ccccc1C(=O)c1ccccc1N", + "O=C(Cl)c1ccc2ccccc2c1>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2cccc3ccccc23)cc1", + "OB(O)c1ccc(Cl)cc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccc(Cl)cc2)c2ccccc2NC(=O)c2ccccc2)cc1", + "O=C(Nc1ccccc1C(=O)c1ccccc1)c1cccc(Br)c1>>Brc1cccc(C2=Nc3ccccc3C(c3ccccc3)O2)c1", + "N#Cc1ccccc1N>>Cc1ccc(C(=O)c2ccccc2NC(=O)c2ccccc2)cc1", + "Nc1ccccc1C(=O)c1ccccc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2ccc(Br)cc2)cc1", + "Cc1ccc(S(=O)(=O)NN=C(c2ccc(F)cc2)c2ccccc2NC(=O)c2ccccc2)cc1>>Fc1ccc(C2OC(c3ccccc3)=Nc3ccccc32)cc1", + "Cc1ccc(S(=O)(=O)NN=C(c2ccc(Cl)cc2)c2ccccc2NC(=O)c2ccccc2)cc1>>Clc1ccc2c(c1)C(c1ccccc1)OC(c1ccccc1)=N2", + "COc1ccc(B(O)O)cc1>>COc1ccc(C(=NNS(=O)(=O)c2ccc(C)cc2)c2ccccc2NC(=O)c2ccccc2)cc1", + "Cc1ccc(S(=O)(=O)NN)cc1.O=C(Nc1ccccc1C(=O)c1ccc(F)cc1)c1ccccc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccc(F)cc2)c2ccccc2NC(=O)c2ccccc2)cc1", + "Cc1ccc(S(=O)(=O)NN)cc1.O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1", + "CC(C)(C)c1ccc(C(=O)c2ccccc2N)cc1.O=C(Cl)c1ccccc1>>CC(C)(C)c1ccc(C(=O)c2ccccc2NC(=O)c2ccccc2)cc1", + "COc1cccc(C(=O)c2ccccc2N)c1>>COc1cccc(C(=NNS(=O)(=O)c2ccc(C)cc2)c2ccccc2NC(=O)c2ccccc2)c1", + "Cc1ccc(S(=O)(=O)NN)cc1.O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccsc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2ccsc2)cc1", + "COc1cc(C(=O)Nc2ccccc2C(=O)c2ccccc2)cc(OC)c1OC>>COc1cc(C2=Nc3ccccc3C(c3ccccc3)O2)cc(OC)c1OC", + "Cc1ccc(S(=O)(=O)NN)cc1.O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccccc1Br>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2ccccc2Br)cc1", + "COc1ccc(C(=O)Cl)cc1>>COc1ccc(C2=Nc3ccccc3C(c3ccccc3)O2)cc1", + "Cc1ccc(C#N)c(N)c1.OB(O)c1ccccc1>>Cc1ccc(C(=O)c2ccccc2)c(N)c1", + "O=C(Cl)c1ccccc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccc(Br)cc2)c2ccccc2NC(=O)c2ccccc2)cc1", + "COc1cc(C(=O)Nc2ccccc2C(=NNS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc(OC)c1OC>>COc1cc(C2=Nc3ccccc3C(c3ccccc3)O2)cc(OC)c1OC", + "COc1cccc(B(O)O)c1>>COc1cccc(C2OC(c3ccccc3)=Nc3ccccc32)c1", + "Nc1ccccc1C(=O)c1ccc(F)cc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccc(F)cc2)c2ccccc2NC(=O)c2ccccc2)cc1", + "Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2cccc(Br)c2)cc1>>COc1cccc(-c2cccc(C3=Nc4ccccc4C(c4ccccc4)O3)c2)c1", + "COc1cccc(C(=O)c2ccccc2N)c1>>COc1ccc2c(c1)N=C(c1ccccc1)OC2c1ccccc1", + "Nc1ccccc1C(=O)c1ccccc1>>O=C(Nc1ccccc1C(=NNS(=O)(=O)c1ccccc1)c1ccccc1)c1ccccc1", + "Cc1ccc(S(=O)(=O)NN)cc1.O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(Br)cc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2ccc(Br)cc2)cc1", + "COc1ccc(C(=O)c2ccccc2)c(N)c1.O=C(Cl)c1ccccc1>>COc1ccc(C(=O)c2ccccc2)c(NC(=O)c2ccccc2)c1", + "Nc1ccccc1C(=O)c1ccccc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2ccccc2Br)cc1", + "O=C(Cl)c1ccc(Cl)cc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2ccc(Cl)cc2)cc1", + "Nc1ccc(Cl)cc1C(=O)c1ccccc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2cc(Cl)ccc2NC(=O)c2ccccc2)cc1", + "Nc1ccccc1C(=O)c1ccccc1.O=C(Cl)c1ccc(Br)cc1>>O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(Br)cc1", + "Cc1ccc(S(=O)(=O)NN=C(c2ccc(C(C)(C)C)cc2)c2ccccc2NC(=O)c2ccccc2)cc1>>CC(C)(C)c1ccc(C2OC(c3ccccc3)=Nc3ccccc32)cc1", + "COc1cccc(B(O)O)c1.N#Cc1ccccc1N>>COc1cccc(C(=O)c2ccccc2N)c1", + "COc1cc(C(=O)Cl)cc(OC)c1OC.Nc1ccccc1C(=O)c1ccccc1>>COc1cc(C(=O)Nc2ccccc2C(=O)c2ccccc2)cc(OC)c1OC", + "O=C(Nc1ccccc1C(=O)c1ccc(Cl)cc1)c1ccccc1>>Clc1ccc(C2OC(c3ccccc3)=Nc3ccccc32)cc1", + "Cc1ccc(B(O)O)cc1>>Cc1ccc(C(=NNS(=O)(=O)c2ccc(C)cc2)c2ccccc2NC(=O)c2ccccc2)cc1", + "Nc1ccccc1C(=O)c1ccc(Cl)cc1.O=C(Cl)c1ccccc1>>O=C(Nc1ccccc1C(=O)c1ccc(Cl)cc1)c1ccccc1", + "Nc1ccccc1C(=O)c1ccc(Cl)cc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccc(Cl)cc2)c2ccccc2NC(=O)c2ccccc2)cc1", + "O=C(Cl)c1ccc(F)cc1>>Fc1ccc(C2=Nc3ccccc3C(c3ccccc3)O2)cc1", + "Cc1ccc(B(O)O)cc1>>Cc1ccc(C2OC(c3ccccc3)=Nc3ccccc32)cc1", + "Nc1ccccc1C(=O)c1ccccc1.O=C(Cl)c1ccc2ccccc2c1>>O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc2ccccc2c1", + "N#Cc1ccccc1N>>CC(C)(C)c1ccc(C2OC(c3ccccc3)=Nc3ccccc32)cc1", + "Cc1ccc(S(=O)(=O)NN=C(c2cccc(C)c2)c2ccccc2NC(=O)c2ccccc2)cc1>>Cc1ccc2c(c1)N=C(c1ccccc1)OC2c1ccccc1", + "Nc1ccccc1C(=O)c1ccccc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2cccc3ccccc23)cc1", + "OB(O)c1ccccc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccc(C)cc2NC(=O)c2ccccc2)cc1", + "OB(O)c1ccccc1>>O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccccc1", + "Cc1ccc(C(=O)Cl)cc1.Nc1ccccc1C(=O)c1ccccc1>>Cc1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1", + "Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2ccc(Br)cc2)cc1>>Brc1ccc(C2=Nc3ccccc3C(c3ccccc3)O2)cc1", + "COc1cccc(C(=O)c2ccccc2NC(=O)c2ccccc2)c1>>COc1cccc(C2OC(c3ccccc3)=Nc3ccccc32)c1", + "Nc1ccccc1C(=O)c1ccccc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2ccc(F)cc2)cc1", + "O=C(Cl)c1ccccc1>>c1ccc(C2=Nc3ccccc3C(c3ccccc3)O2)cc1", + "COc1ccc(C#N)c(N)c1.OB(O)c1ccccc1>>COc1ccc(C(=O)c2ccccc2)c(N)c1", + "Cc1ccc(C(=O)c2ccccc2)c(N)c1>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccc(C)cc2NC(=O)c2ccccc2)cc1", + "Cc1ccc(S(=O)(=O)NN)cc1.O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(Cl)cc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2ccc(Cl)cc2)cc1", + "COc1ccc(C#N)c(N)c1>>COc1ccc(C(=O)c2ccccc2)c(NC(=O)c2ccccc2)c1", + "O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccccc1>>c1ccc(C2=Nc3ccccc3C(c3ccccc3)O2)cc1", + "O=C(Nc1ccccc1C(=O)c1ccc(Br)cc1)c1ccccc1>>Brc1ccc2c(c1)C(c1ccccc1)OC(c1ccccc1)=N2", + "Cc1ccc(C(=O)c2ccccc2)c(N)c1.O=C(Cl)c1ccccc1>>Cc1ccc(C(=O)c2ccccc2)c(NC(=O)c2ccccc2)c1", + "Cc1ccc(C(=O)Nc2ccccc2C(=NNS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1>>Cc1ccc(C2=Nc3ccccc3C(c3ccccc3)O2)cc1", + "Nc1ccccc1C(=O)c1ccccc1.O=C(Cl)c1ccccc1>>O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccccc1", + "O=C(Cl)c1ccsc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2ccsc2)cc1", + "Cc1ccc(C(=O)Cl)cc1.Nc1ccccc1C(=O)c1ccccc1>>Cc1ccc(C(=O)Nc2ccccc2C(=NNS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1", + "COc1ccc(C(=O)Cl)cc1.Nc1ccccc1C(=O)c1ccccc1>>COc1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1", + "Brc1cccc(C2=Nc3ccccc3C(c3ccccc3)O2)c1.COc1ccc(N)cc1>>COc1ccc(Nc2cccc(C3=Nc4ccccc4C(c4ccccc4)O3)c2)cc1", + "COc1ccc(C#N)c(N)c1>>COc1ccc(C(=NNS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c(NC(=O)c2ccccc2)c1", + "COc1ccccc1C(=O)c1ccccc1N.O=C(Cl)c1ccccc1>>COc1ccccc1C(=O)c1ccccc1NC(=O)c1ccccc1", + "COc1ccc(B(O)O)cc1>>COc1ccc(C(=O)c2ccccc2NC(=O)c2ccccc2)cc1", + "O=C(Cl)c1ccc2ccccc2c1>>c1ccc(C2OC(c3cccc4ccccc34)=Nc3ccccc32)cc1", + "O=C(Cl)c1ccc(Cl)cc1>>Clc1ccc(C2=Nc3ccccc3C(c3ccccc3)O2)cc1", + "COc1cccc(C(=NNS(=O)(=O)c2ccc(C)cc2)c2ccccc2NC(=O)c2ccccc2)c1>>COc1cccc(C2OC(c3ccccc3)=Nc3ccccc32)c1", + "COc1ccc(C(=O)c2ccccc2)c(NC(=O)c2ccccc2)c1.Cc1ccc(S(=O)(=O)NN)cc1>>COc1ccc(C(=NNS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c(NC(=O)c2ccccc2)c1", + "O=C(Cl)c1ccc(F)cc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2ccc(F)cc2)cc1", + "N#Cc1ccc(C(=O)Cl)cc1.Nc1ccccc1C(=O)c1ccccc1>>N#Cc1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1", + "N#Cc1cc(Br)ccc1N>>O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1)c1ccccc1", + "O=C(Cl)c1ccccc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2ccccc2)cc1", + "N#Cc1ccccc1N>>O=C(Nc1ccccc1C(=O)c1ccc(F)cc1)c1ccccc1", + "COc1ccccc1B(O)O>>COc1ccccc1C(=NNS(=O)(=O)c1ccc(C)cc1)c1ccccc1NC(=O)c1ccccc1", + "CC(C)(C)c1ccc(C(=O)c2ccccc2N)cc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccc(C(C)(C)C)cc2)c2ccccc2NC(=O)c2ccccc2)cc1", + "Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2ccccc2)cc1>>c1ccc(C2=Nc3ccccc3C(c3ccccc3)O2)cc1", + "N#Cc1cc(Cl)ccc1N>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2cc(Cl)ccc2NC(=O)c2ccccc2)cc1", + "COc1cccc(B(O)O)c1>>COc1cccc(C(=O)c2ccccc2NC(=O)c2ccccc2)c1", + "O=C(Cl)c1ccccc1>>Brc1ccc2c(c1)C(c1ccccc1)OC(c1ccccc1)=N2", + "COc1ccccc1C(=O)c1ccccc1NC(=O)c1ccccc1.Cc1ccc(S(=O)(=O)NN)cc1>>COc1ccccc1C(=NNS(=O)(=O)c1ccc(C)cc1)c1ccccc1NC(=O)c1ccccc1", + "Nc1ccccc1C(=O)c1ccccc1>>Clc1ccc(C2=Nc3ccccc3C(c3ccccc3)O2)cc1", + "O=C(Cl)c1ccccc1Br>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2ccccc2Br)cc1", + "N#Cc1ccccc1N>>COc1ccccc1C(=O)c1ccccc1NC(=O)c1ccccc1", + "OB(O)c1ccc(Cl)cc1>>O=C(Nc1ccccc1C(=O)c1ccc(Cl)cc1)c1ccccc1", + "OB(O)c1ccccc1>>COc1ccc(C(=O)c2ccccc2)c(NC(=O)c2ccccc2)c1", + "Cc1ccc(C#N)c(N)c1>>Cc1ccc(C(=O)c2ccccc2)c(NC(=O)c2ccccc2)c1", + "O=C(Cl)c1ccc([N+](=O)[O-])cc1>>O=[N+]([O-])c1ccc(C2=Nc3ccccc3C(c3ccccc3)O2)cc1", + "COc1cccc(B(O)O)c1>>COc1ccc2c(c1)N=C(c1ccccc1)OC2c1ccccc1", + "OB(O)c1ccc(F)cc1>>O=C(Nc1ccccc1C(=O)c1ccc(F)cc1)c1ccccc1", + "CC(=O)c1ccccc1NC(=O)c1ccccc1>>CC1OC(c2ccccc2)=Nc2ccccc21", + "O=C(Cl)c1ccsc1>>c1ccc(C2OC(c3ccsc3)=Nc3ccccc32)cc1", + "Nc1ccccc1C(=O)c1ccccc1>>Brc1cccc(C2=Nc3ccccc3C(c3ccccc3)O2)c1", + "Nc1ccccc1C(=O)c1ccccc1>>c1ccc(C2OC(c3cccc4ccccc34)=Nc3ccccc32)cc1", + "O=C(Cl)c1ccccc1>>CC1OC(c2ccccc2)=Nc2ccccc21", + "CC(C)(C)c1ccc(B(O)O)cc1>>CC(C)(C)c1ccc(C2OC(c3ccccc3)=Nc3ccccc32)cc1", + "COc1ccc(C(=O)c2ccccc2NC(=O)c2ccccc2)cc1>>COc1ccc(C2OC(c3ccccc3)=Nc3ccccc32)cc1", + "Nc1ccccc1C(=O)c1ccc(F)cc1.O=C(Cl)c1ccccc1>>O=C(Nc1ccccc1C(=O)c1ccc(F)cc1)c1ccccc1", + "Nc1ccccc1C(=O)c1ccccc1.O=C(Cl)c1ccoc1>>O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccoc1", + "Cc1ccc(C(=O)c2ccccc2N)cc1>>Cc1ccc(C2OC(c3ccccc3)=Nc3ccccc32)cc1", + "Nc1ccccc1C(=O)c1ccccc1.O=C(Cl)c1ccc2c(c1)OCO2>>O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc2c(c1)OCO2", + "Nc1ccccc1C(=O)c1ccc(Br)cc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccc(Br)cc2)c2ccccc2NC(=O)c2ccccc2)cc1", + "O=C(Nc1ccccc1C(=O)c1ccccc1)c1cccc(Br)c1>>COc1cccc(-c2cccc(C3=Nc4ccccc4C(c4ccccc4)O3)c2)c1", + "N#Cc1ccc(C(=O)Cl)cc1>>N#Cc1ccc(C2=Nc3ccccc3C(c3ccccc3)O2)cc1", + "O=C(Cl)c1ccccc1>>CC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccccc1NC(=O)c1ccccc1", + "N#Cc1ccccc1N>>COc1ccccc1C(=NNS(=O)(=O)c1ccc(C)cc1)c1ccccc1NC(=O)c1ccccc1", + "N#Cc1ccccc1N>>COc1ccc(C(=NNS(=O)(=O)c2ccc(C)cc2)c2ccccc2NC(=O)c2ccccc2)cc1", + "COc1cccc(B(O)O)c1>>COc1cccc(C(=NNS(=O)(=O)c2ccc(C)cc2)c2ccccc2NC(=O)c2ccccc2)c1", + "Nc1ccccc1C(=O)c1ccccc1>>COc1cccc(-c2cccc(C3=Nc4ccccc4C(c4ccccc4)O3)c2)c1", + "Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2ccoc2)cc1>>c1ccc(C2OC(c3ccoc3)=Nc3ccccc32)cc1", + "Cc1ccc(S(=O)(=O)NN)cc1.O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccoc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2ccoc2)cc1", + "COc1ccc(C(=O)c2ccccc2)c(N)c1>>COc1ccc(C(=NNS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c(NC(=O)c2ccccc2)c1", + "Nc1ccccc1C(=O)c1ccccc1>>c1ccc(C2OC(c3ccoc3)=Nc3ccccc32)cc1", + "COc1ccc(C(=O)c2ccccc2N)cc1>>COc1ccc(C(=NNS(=O)(=O)c2ccc(C)cc2)c2ccccc2NC(=O)c2ccccc2)cc1", + "N#Cc1ccccc1N.OB(O)c1ccc(Cl)cc1>>Nc1ccccc1C(=O)c1ccc(Cl)cc1", + "N#Cc1cc(Cl)ccc1N>>O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccccc1", + "Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2ccc(C#N)cc2)cc1>>N#Cc1ccc(C2=Nc3ccccc3C(c3ccccc3)O2)cc1", + "Nc1ccccc1C(=O)c1ccc(Cl)cc1>>Clc1ccc2c(c1)C(c1ccccc1)OC(c1ccccc1)=N2", + "Cc1ccc(C(=O)c2ccccc2NC(=O)c2ccccc2)cc1>>Cc1ccc(C2OC(c3ccccc3)=Nc3ccccc32)cc1", + "Nc1ccccc1C(=O)c1ccccc1.O=C(Cl)c1ccccc1Br>>O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccccc1Br", + "N#Cc1ccccc1N>>Clc1ccc2c(c1)C(c1ccccc1)OC(c1ccccc1)=N2", + "CC(=O)c1ccccc1N>>CC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccccc1NC(=O)c1ccccc1", + "OB(O)c1ccc(Cl)cc1>>Clc1ccc(C2OC(c3ccccc3)=Nc3ccccc32)cc1", + "N#Cc1ccccc1N>>Cc1ccc(C(=NNS(=O)(=O)c2ccc(C)cc2)c2ccccc2NC(=O)c2ccccc2)cc1", + "N#Cc1ccccc1N>>Cc1ccc(S(=O)(=O)NN=C(c2ccc(F)cc2)c2ccccc2NC(=O)c2ccccc2)cc1", + "Cc1ccc(S(=O)(=O)NN)cc1.O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc2ccccc2c1>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2cccc3ccccc23)cc1", + "O=C(Cl)c1ccc([N+](=O)[O-])cc1>>Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1", + 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"Cc1ccc(S(=O)(=O)N(CC(=O)c2ccccc2)C(CO[Si](C)(C)C(C)(C)C)Cc2ccccc2)cc1>>Cc1ccc(S(=O)(=O)N2C=C(c3ccccc3)OCC2Cc2ccccc2)cc1", + "Cc1ccc(S(=O)(=O)NCCCO[Si](C)(C)C(C)(C)C)cc1.O=C(CBr)c1ccccc1>>Cc1ccc(S(=O)(=O)NC(C)CO[Si](C)(C)C(C)(C)C)cc1", + "O=C(CBr)c1ccco1>>Cc1ccc(S(=O)(=O)N2CCOC2C(=O)c2ccco2)cc1", + "Cc1ccc(S(=O)(=O)NCCO[Si](C)(C)C(C)(C)C)cc1.O=C(CBr)c1ccco1>>Cc1ccc(S(=O)(=O)N(CCO[Si](C)(C)C(C)(C)C)CC(=O)c2ccco2)cc1", + "Cc1ccc(S(=O)(=O)N(CCO[Si](C)(C)C(C)(C)C)CC(=O)c2ccccc2F)cc1>>Cc1ccc(S(=O)(=O)N2C=C(c3ccccc3F)OCC2)cc1", + "Cc1ccc(S(=O)(=O)N(CCO[Si](C)(C)C(C)(C)C)CC(=O)c2ccc(Br)cc2)cc1>>Cc1ccc(S(=O)(=O)N2CCOC2C(=O)c2ccc(Br)cc2)cc1", + "Cc1ccc(S(=O)(=O)NCCO[Si](C)(C)C(C)(C)C)cc1>>Cc1ccc(S(=O)(=O)N2C=C(c3ccccc3)OCC2)cc1", + "Cc1ccc(C(=O)CN(CCO[Si](C)(C)C(C)(C)C)S(=O)(=O)c2ccc(C)cc2)cc1>>Cc1ccc(C(=O)C2OCCN2S(=O)(=O)c2ccc(C)cc2)cc1", + "O=C(CBr)c1cccs1>>Cc1ccc(S(=O)(=O)N2C=C(c3cccs3)OCC2)cc1", + 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"Cc1ccc(S(=O)(=O)NCCO[Si](C)(C)C(C)(C)C)cc1>>Cc1ccc(S(=O)(=O)N2C=C(c3ccccc3F)OCC2)cc1", + "Cc1ccc(S(=O)(=O)NCCO[Si](C)(C)C(C)(C)C)cc1>>Cc1ccc(S(=O)(=O)N2C=C(c3ccc4ccccc4c3)OCC2)cc1", + "Cc1ccc(S(=O)(=O)NCCO[Si](C)(C)C(C)(C)C)cc1>>Cc1ccc(S(=O)(=O)N2CCOC2C(=O)c2ccc3ccccc3c2)cc1", + "Cc1ccc(S(=O)(=O)N(CCO[Si](C)(C)C(C)(C)C)CC(=O)c2cccc(Cl)c2)cc1>>Cc1ccc(S(=O)(=O)N2CCOC2C(=O)c2cccc(Cl)c2)cc1", + "Cc1ccc(S(=O)(=O)NCCO[Si](C)(C)C(C)(C)C)cc1.O=C(CBr)c1ccc(F)cc1>>Cc1ccc(S(=O)(=O)N(CCO[Si](C)(C)C(C)(C)C)CC(=O)c2ccc(F)cc2)cc1", + "Cc1ccc(S(=O)(=O)NCCO[Si](C)(C)C(C)(C)C)cc1>>Cc1ccc(S(=O)(=O)N2C=C(c3ccc(Br)cc3)OCC2)cc1", + "Cc1ccc(S(=O)(=O)NCCO[Si](C)(C)C(C)(C)C)cc1>>Cc1ccc(S(=O)(=O)N2C=C(c3ccc(Cl)cc3)OCC2)cc1", + "Cc1ccc(S(=O)(=O)NC(CO[Si](C)(C)C(C)(C)C)Cc2ccccc2)cc1>>Cc1ccc(S(=O)(=O)N2C=C(c3ccccc3)OCC2Cc2ccccc2)cc1", + "O=C(CBr)c1cccs1>>Cc1ccc(S(=O)(=O)N2CCOC2C(=O)c2cccs2)cc1", + "Cc1ccc(S(=O)(=O)NC(C)CO[Si](C)(C)C(C)(C)C)cc1>>Cc1ccc(S(=O)(=O)N2C(C)COC2C(=O)c2ccccc2)cc1", + "Cc1ccc(S(=O)(=O)N(CCO[Si](C)(C)C(C)(C)C)CC(=O)c2ccccc2)cc1>>Cc1ccc(S(=O)(=O)N2CCOC2C(=O)c2ccccc2)cc1", + "Cc1ccc(S(=O)(=O)NCCO[Si](C)(C)C(C)(C)C)cc1>>Cc1ccc(C(=O)C2OCCN2S(=O)(=O)c2ccc(C)cc2)cc1", + "Cc1ccc(S(=O)(=O)NCCO[Si](C)(C)C(C)(C)C)cc1>>Cc1ccc(S(=O)(=O)N2CCOC2C(=O)c2ccc(C#N)cc2)cc1", + "Cc1ccc(S(=O)(=O)NCCO[Si](C)(C)C(C)(C)C)cc1.O=C(CBr)c1cccs1>>Cc1ccc(S(=O)(=O)N(CCO[Si](C)(C)C(C)(C)C)CC(=O)c2cccs2)cc1", + "O=C(CBr)c1ccccc1>>Cc1ccc(S(=O)(=O)N2C(Cc3ccccc3)COC2C(=O)c2ccccc2)cc1", + "O=C(CBr)c1ccccc1>>Cc1ccc(S(=O)(=O)N2CCOC2C(=O)c2ccccc2)cc1", + "Cc1ccc(S(=O)(=O)NCCO[Si](C)(C)C(C)(C)C)cc1>>Cc1ccc(S(=O)(=O)N2CCOC2C(=O)c2cccs2)cc1", + "Cc1ccc(S(=O)(=O)N(CCO[Si](C)(C)C(C)(C)C)CC(=O)c2ccc3ccccc3c2)cc1>>Cc1ccc(S(=O)(=O)N2C=C(c3ccc4ccccc4c3)OCC2)cc1", + "Cc1ccc(S(=O)(=O)N(CCO[Si](C)(C)C(C)(C)C)CC(=O)c2ccc(C#N)cc2)cc1>>Cc1ccc(S(=O)(=O)N2CCOC2C(=O)c2ccc(C#N)cc2)cc1", + "Cc1ccc(S(=O)(=O)NC(CO[Si](C)(C)C(C)(C)C)Cc2ccccc2)cc1>>Cc1ccc(S(=O)(=O)N2C(Cc3ccccc3)COC2C(=O)c2ccccc2)cc1", + 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"CC(C)(C)OC(=O)C(N)Cc1ccccc1.Cl.N#Cc1ccc(Br)cc1.O=C=[Mo](=C=O)(=C=O)(=C=O)(=C=O)=C=O>>CC(C)(C)OC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C#N)cc1", + "Brc1ccccc1.COC(=O)C(C)N.Cl.O=C=[Mo](=C=O)(=C=O)(=C=O)(=C=O)=C=O>>COC(=O)C(C)NC(=O)c1ccccc1", + "Brc1ccccc1.CCOC(=O)C(N)c1ccccc1.Cl.O=C=[Mo](=C=O)(=C=O)(=C=O)(=C=O)=C=O>>CCOC(=O)C(NC(=O)c1ccccc1)c1ccccc1", + "Brc1ccccc1.COC(=O)C(N)CCCCNC(=O)OC(C)(C)C.Cl.O=C=[Mo](=C=O)(=C=O)(=C=O)(=C=O)=C=O>>COC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)c1ccccc1", + "Brc1ccccc1.COC(=O)C(N)C(C)OC(C)(C)C.Cl.O=C=[Mo](=C=O)(=C=O)(=C=O)(=C=O)=C=O>>COC(=O)C(NC(=O)c1ccccc1)C(C)OC(C)(C)C" + ], + "acs.orglett.3c01437.pdf": [ + "NNc1ccc(Br)cc1>>FC(F)(F)c1ccn(-c2ccc(Br)cc2)n1", + "O=C(Oc1ccc(N2N=C(C(F)(F)F)SCC2O)cc1)c1ccccc1>>O=C(Oc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccccc1", + "CCOC(=O)C(Cl)=NNc1ccc(OC)cc1.OC1CSC(O)CS1>>CCOC(=O)C1=NN(c2ccc(OC)cc2)C(O)CS1", + "FC(F)(F)C=NNc1ccc(Br)cc1>>FC(F)(F)C(Br)=NNc1ccc(Br)cc1", + "COc1ccc(-n2nc(C(F)(F)F)cc2I)cc1.OB(O)c1ccc(Cl)cc1>>COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1", + "FC(F)(F)C(Br)=NNc1ccc(Br)cc1>>FC(F)(F)c1ccn(-c2ccc(Br)cc2)n1", + "CC(C)c1ccc(N2N=C(C(F)(F)F)SCC2O)cc1>>CC(C)c1ccc(-n2ccc(C(F)(F)F)n2)cc1", + "COc1ccc(NN=C(Br)C(F)(F)F)cc1>>COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1", + "CC(C)c1ccc(NN)cc1.O=CC(F)(F)F>>CC(C)c1ccc(NN=CC(F)(F)F)cc1", + "Nc1ccc(Cl)cc1>>CC(=O)C1=NN(c2ccc(Cl)cc2)C(O)CS1", + "CC(=O)C(Cl)=NNc1ccc([N+](=O)[O-])cc1>>CC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1", + "O=[N+]([O-])c1ccc(NN=CC(F)(F)F)cc1>>O=[N+]([O-])c1ccc(N2C=CSC(C(F)(F)F)=N2)cc1", + "N#Cc1ccc(NN=C(Br)C(F)(F)F)cc1.OC1CSC(O)CS1>>N#Cc1ccc(N2N=C(C(F)(F)F)SCC2O)cc1", + "O=[N+]([O-])c1ccc(N2N=C(C(F)(F)F)SCC2O)cc1>>O=[N+]([O-])c1ccc(N2C=CSC(C(F)(F)F)=N2)cc1", + "COc1ccc(NN)cc1>>COc1ccc(N2N=C(C(F)(F)F)SCC2O)cc1", + "CC(C)c1ccc(NN)cc1>>CC(C)c1ccc(NN=C(Br)C(F)(F)F)cc1", + "Cl.NNc1ccc(S(N)(=O)=O)cc1>>NS(=O)(=O)c1ccc(NN=C(Br)C(F)(F)F)cc1", + "CC(C)c1ccc(NN=CC(F)(F)F)cc1>>CC(C)c1ccc(-n2ccc(C(F)(F)F)n2)cc1", + "NS(=O)(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1>>Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1", + "NNc1ccc(OCc2ccccc2)cc1.O=CC(F)(F)F>>FC(F)(F)C=NNc1ccc(OCc2ccccc2)cc1", + "COC(=O)c1ccc(NN)cc1>>COC(=O)c1ccc(N2N=C(C(F)(F)F)SCC2O)cc1", + "CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)C=CS1>>CC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1", + "NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)SCC2O)cc1>>NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2I)cc1", + "CCOC(=O)c1ccc(N)cc1>>CCOC(=O)c1ccc(N2C=CSC(C(C)=O)=N2)cc1", + "NNc1ccc(F)cc1>>OC1CSC(C(F)(F)F)=NN1c1ccc(F)cc1", + "O=[N+]([O-])c1ccc(NN=CC(F)(F)F)cc1>>O=[N+]([O-])c1ccc(-n2ccc(C(F)(F)F)n2)cc1", + "N#Cc1ccc(N2N=C(C(F)(F)F)SCC2O)cc1>>N#Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1", + "O=[N+]([O-])c1cccc(NN=CC(F)(F)F)c1>>O=[N+]([O-])c1cccc(-n2ccc(C(F)(F)F)n2)c1", + "CCOC(=O)c1ccc(N2C=CSC(C(C)=O)=N2)cc1>>CCOC(=O)c1ccc(-n2ccc(C(C)=O)n2)cc1", + "COc1ccc(NN)cc1>>COc1ccc(NN=C(Br)C(F)(F)F)cc1", + "NNc1ccccc1>>OC1CSC(C(F)(F)F)=NN1c1ccccc1", + "NNc1ccc([N+](=O)[O-])cc1>>O=[N+]([O-])c1ccc(-n2ccc(C(F)(F)F)n2)cc1", + "COc1ccc(NN)cc1>>COc1ccc(-n2nc(C(F)(F)F)cc2I)cc1", + "NNc1ccc(Cl)cc1>>FC(F)(F)C(Br)=NNc1ccc(Cl)cc1", + "NNc1ccc(OCc2ccccc2)cc1>>OC1CSC(C(F)(F)F)=NN1c1ccc(OCc2ccccc2)cc1", + "NNc1ccc(Cl)cc1Cl.O=CC(F)(F)F>>FC(F)(F)C=NNc1ccc(Cl)cc1Cl", + "FC(F)(F)C(Br)=NNc1ccc(OCc2ccccc2)cc1>>FC(F)(F)c1ccn(-c2ccc(OCc3ccccc3)cc2)n1", + "NNc1cccc([N+](=O)[O-])c1.O=CC(F)(F)F>>O=[N+]([O-])c1cccc(NN=CC(F)(F)F)c1", + "NNc1ccc(C(F)(F)F)cc1>>OC1CSC(C(F)(F)F)=NN1c1ccc(C(F)(F)F)cc1", + "CC(=O)C(Cl)=NNc1ccc(Cl)cc1>>CC(=O)C1=NN(c2ccc(Cl)cc2)C=CS1", + "FC(F)(F)C(Br)=NNc1ccc(Cl)cc1Cl>>FC(F)(F)c1ccn(-c2ccc(Cl)cc2Cl)n1", + "FC(F)(F)C=NNc1ccc(Cl)cc1>>FC(F)(F)C(Br)=NNc1ccc(Cl)cc1", + "OC1CSC(c2ccccc2)=NN1c1ccccc1>>c1ccc(-c2ccn(-c3ccccc3)n2)cc1", + "NNc1ccc([N+](=O)[O-])cc1>>O=[N+]([O-])c1ccc(N2C=CSC(C(F)(F)F)=N2)cc1", + "O=[N+]([O-])c1cccc(NN=CC(F)(F)F)c1>>O=[N+]([O-])c1cccc(N2N=C(C(F)(F)F)SCC2O)c1", + "NS(=O)(=O)c1ccc(NN=C(Br)C(F)(F)F)cc1>>NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2I)cc1", + "COc1ccc(NN=CC(F)(F)F)cc1>>COc1ccc(-n2nc(C(F)(F)F)cc2I)cc1", + "CC(C)c1ccc(NN=CC(F)(F)F)cc1>>CC(C)c1ccc(NN=C(Br)C(F)(F)F)cc1", + "COC(=O)c1ccc(NN=C(Br)C(F)(F)F)cc1.OC1CSC(O)CS1>>COC(=O)c1ccc(N2N=C(C(F)(F)F)SCC2O)cc1", + "FC(F)(F)C=NNc1ccc(Cl)cc1>>OC1CSC(C(F)(F)F)=NN1c1ccc(Cl)cc1", + "NNc1ccc(F)cc1.O=CC(F)(F)F>>Fc1ccc(NN=CC(F)(F)F)cc1", + "Cc1ccc(NN=C(Br)C(F)(F)F)cc1.OC1CSC(O)CS1>>Cc1ccc(N2N=C(C(F)(F)F)SCC2O)cc1", + "CC(=O)C(Cl)=NNc1ccc(C)cc1>>CC(=O)c1ccn(-c2ccc(C)cc2)n1", + "O=[N+]([O-])c1ccc(NN=C(Br)C(F)(F)F)cc1>>O=[N+]([O-])c1ccc(N2C=CSC(C(F)(F)F)=N2)cc1", + "FC(F)(F)C(Br)=NNc1ccccc1.OC1CSC(O)CS1>>OC1CSC(C(F)(F)F)=NN1c1ccccc1", + "CCOC(=O)C(Cl)=NNc1ccc(OC)cc1>>CCOC(=O)c1ccn(-c2ccc(OC)cc2)n1", + "NNc1ccc(OC(=O)c2ccccc2)cc1>>O=C(Oc1ccc(NN=C(Br)C(F)(F)F)cc1)c1ccccc1", + "NS(=O)(=O)c1ccc(NN=C(Br)C(F)(F)F)cc1>>NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(F)cc2)cc1", + "CC(C)c1ccc(NN)cc1>>CC(C)c1ccc(-n2ccc(C(F)(F)F)n2)cc1", + "CCOC(=O)C1=NN(c2ccc(OC)cc2)C(O)CS1>>CCOC(=O)c1ccn(-c2ccc(OC)cc2)n1", + "NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2I)cc1.OB(O)c1ccc(F)cc1>>NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(F)cc2)cc1", + "NS(=O)(=O)c1ccc(NN=CC(F)(F)F)cc1>>NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2I)cc1", + "CC(C)c1ccc(NN=C(Br)C(F)(F)F)cc1>>CC(C)c1ccc(-n2ccc(C(F)(F)F)n2)cc1", + "NNc1ccc(Cl)cc1>>FC(F)(F)c1ccn(-c2ccc(Cl)cc2)n1", + "NNc1cccc([N+](=O)[O-])c1>>O=[N+]([O-])c1cccc(NN=C(Br)C(F)(F)F)c1", + "COc1ccc(-n2ccc(C(F)(F)F)n2)cc1>>COc1ccc(-n2nc(C(F)(F)F)cc2I)cc1", + "CC(C)c1ccc(NN)cc1>>CC(C)c1ccc(N2N=C(C(F)(F)F)SCC2O)cc1", + "FC(F)(F)C(Br)=NNc1ccc(Cl)cc1.OC1CSC(O)CS1>>OC1CSC(C(F)(F)F)=NN1c1ccc(Cl)cc1", + "CC(=O)C1=NN(c2c(C)cc(C)cc2C)C(O)CS1>>CC(=O)c1ccn(-c2c(C)cc(C)cc2C)n1", + "NNc1ccc(Cl)cc1Cl>>OC1CSC(C(F)(F)F)=NN1c1ccc(Cl)cc1Cl", + "Cc1ccc(NN)cc1>>Cc1ccc(NN=C(Br)C(F)(F)F)cc1", + "CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)C(O)CS1>>CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)C=CS1", + "NS(=O)(=O)c1ccc(NN=C(Br)C(F)(F)F)cc1.OC1CSC(O)CS1>>NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)SCC2O)cc1", + "CC(=O)C(Cl)C(C)=O.Nc1ccc([N+](=O)[O-])cc1>>CC(=O)C(Cl)=NNc1ccc([N+](=O)[O-])cc1", + "COC(=O)c1ccc(NN)cc1>>COC(=O)c1ccc(NN=C(Br)C(F)(F)F)cc1", + "Cl.NNc1ccc(S(N)(=O)=O)cc1>>NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2I)cc1", + "NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)SCC2O)cc1>>NS(=O)(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1", + "Cc1ccc(NN=CC(F)(F)F)cc1>>Cc1ccc(N2N=C(C(F)(F)F)SCC2O)cc1", + "Nc1ccc([N+](=O)[O-])cc1>>CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)C(O)CS1", + "CC(=O)C1=NN(c2ccc(Cl)cc2)C=CS1>>CC(=O)c1ccn(-c2ccc(Cl)cc2)n1", + "COc1ccc(N2N=C(C(F)(F)F)SCC2O)cc1>>COc1ccc(-n2nc(C(F)(F)F)cc2I)cc1", + "NS(=O)(=O)c1ccc(NN=CC(F)(F)F)cc1>>NS(=O)(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1", + "O=[N+]([O-])c1cccc(NN=C(Br)C(F)(F)F)c1>>O=[N+]([O-])c1cccc(-n2ccc(C(F)(F)F)n2)c1", + "Fc1ccc(NN=C(Br)C(F)(F)F)cc1>>Fc1ccc(-n2ccc(C(F)(F)F)n2)cc1", + "NNc1ccc(OCc2ccccc2)cc1>>FC(F)(F)C(Br)=NNc1ccc(OCc2ccccc2)cc1", + "Cl.NNc1ccc(S(N)(=O)=O)cc1>>Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1", + "FC(F)(F)C=NNc1ccc(Cl)cc1Cl>>FC(F)(F)C(Br)=NNc1ccc(Cl)cc1Cl", + "NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)SCC2O)cc1>>Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1", + "CC(=O)C(Cl)=NNc1c(C)cc(C)cc1C.OC1CSC(O)CS1>>CC(=O)C1=NN(c2c(C)cc(C)cc2C)C(O)CS1", + "CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)C(O)CS1>>CC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1", + "Fc1ccc(NN=CC(F)(F)F)cc1>>Fc1ccc(NN=C(Br)C(F)(F)F)cc1", + "NNc1ccc(Cl)cc1Cl>>FC(F)(F)c1ccn(-c2ccc(Cl)cc2Cl)n1", + "COc1ccc(NN=CC(F)(F)F)cc1>>COc1ccc(-n2ccc(C(F)(F)F)n2)cc1", + "CCOC(=O)c1ccc(N)cc1>>CCOC(=O)c1ccc(-n2ccc(C(C)=O)n2)cc1", + "N#Cc1ccc(NN)cc1>>N#Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1", + "NNc1ccccc1>>FC(F)(F)C(Br)=NNc1ccccc1", + "FC(F)(F)C(Br)=NNc1ccc(C(F)(F)F)cc1.OC1CSC(O)CS1>>OC1CSC(C(F)(F)F)=NN1c1ccc(C(F)(F)F)cc1", + "Nc1ccc([N+](=O)[O-])cc1>>CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)C=CS1", + "OC1CSC(C(F)(F)F)=NN1c1ccc(Cl)cc1Cl>>FC(F)(F)c1ccn(-c2ccc(Cl)cc2Cl)n1", + "O=C(Oc1ccc(NN=CC(F)(F)F)cc1)c1ccccc1>>O=C(Oc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccccc1", + "NS(=O)(=O)c1ccc(NN=CC(F)(F)F)cc1>>NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)SCC2O)cc1", + "Cc1ccc(NN)cc1>>Cc1ccc(N2N=C(C(F)(F)F)SCC2O)cc1", + "COC(=O)c1ccc(NN)cc1.O=CC(F)(F)F>>COC(=O)c1ccc(NN=CC(F)(F)F)cc1", + "Nc1ccc(Cl)cc1>>CC(=O)c1ccn(-c2ccc(Cl)cc2)n1", + "O=C(Oc1ccc(NN=C(Br)C(F)(F)F)cc1)c1ccccc1.OC1CSC(O)CS1>>O=C(Oc1ccc(N2N=C(C(F)(F)F)SCC2O)cc1)c1ccccc1", + "COc1ccc(NN=C(Cl)C(C)=O)cc1.OC1CSC(O)CS1>>COc1ccc(N2N=C(C(C)=O)SCC2O)cc1", + "FC(F)(F)C=NNc1ccccc1>>OC1CSC(C(F)(F)F)=NN1c1ccccc1", + "O=[N+]([O-])c1ccc(NN=C(Br)C(F)(F)F)cc1.OC1CSC(O)CS1>>O=[N+]([O-])c1ccc(N2N=C(C(F)(F)F)SCC2O)cc1", + "CCOC(=O)c1ccc(NN=C(Cl)C(C)=O)cc1>>CCOC(=O)c1ccc(-n2ccc(C(C)=O)n2)cc1", + "O=[N+]([O-])c1cccc(NN=CC(F)(F)F)c1>>O=[N+]([O-])c1cccc(NN=C(Br)C(F)(F)F)c1", + "NS(=O)(=O)c1ccc(NN=CC(F)(F)F)cc1>>Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1", + "NNc1cccc([N+](=O)[O-])c1>>O=[N+]([O-])c1cccc(N2N=C(C(F)(F)F)SCC2O)c1", + "CC(=O)C(Cl)C(C)=O.Nc1ccc(Cl)cc1>>CC(=O)C(Cl)=NNc1ccc(Cl)cc1", + "FC(F)(F)C=NNc1ccc(C(F)(F)F)cc1>>FC(F)(F)C(Br)=NNc1ccc(C(F)(F)F)cc1", + "OC1CSC(C(F)(F)F)=NN1c1ccc(Cl)cc1>>FC(F)(F)c1ccn(-c2ccc(Cl)cc2)n1", + "COc1ccc(NN=CC(F)(F)F)cc1>>COc1ccc(NN=C(Br)C(F)(F)F)cc1", + "COc1ccc(NN=C(Br)C(F)(F)F)cc1.OC1CSC(O)CS1>>COc1ccc(N2N=C(C(F)(F)F)SCC2O)cc1", + "Cl.NNc1ccc(S(N)(=O)=O)cc1>>NS(=O)(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1", + "COc1ccc(N2N=C(C(F)(F)F)SCC2O)cc1>>COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1", + "NNc1ccccc1>>FC(F)(F)c1ccn(-c2ccccc2)n1", + "NNc1ccc(Br)cc1>>OC1CSC(C(F)(F)F)=NN1c1ccc(Br)cc1", + "O=C(Oc1ccc(NN=C(Br)C(F)(F)F)cc1)c1ccccc1>>O=C(Oc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccccc1", + "Cl.NNc1ccc(S(N)(=O)=O)cc1.O=CC(F)(F)F>>NS(=O)(=O)c1ccc(NN=CC(F)(F)F)cc1", + "O=[N+]([O-])c1ccc(NN=CC(F)(F)F)cc1>>O=[N+]([O-])c1ccc(N2N=C(C(F)(F)F)SCC2O)cc1", + "FC(F)(F)C=NNc1ccc(Cl)cc1Cl>>OC1CSC(C(F)(F)F)=NN1c1ccc(Cl)cc1Cl", + "CCOC(=O)c1ccc(N)cc1>>CCOC(=O)c1ccc(N2N=C(C(C)=O)SCC2O)cc1", + "NNc1ccc(C(F)(F)F)cc1>>FC(F)(F)c1ccc(-n2ccc(C(F)(F)F)n2)cc1", + "NNc1ccc(C(F)(F)F)cc1>>FC(F)(F)C(Br)=NNc1ccc(C(F)(F)F)cc1", + "CCOC(=O)C(Cl)=NNc1ccc(C)cc1.OC1CSC(O)CS1>>CCOC(=O)C1=NN(c2ccc(C)cc2)C(O)CS1", + "Cc1ccc(NN=CC(F)(F)F)cc1>>Cc1ccc(NN=C(Br)C(F)(F)F)cc1", + "CC(=O)C1=NN(c2ccc(C)cc2)C(O)CS1>>CC(=O)c1ccn(-c2ccc(C)cc2)n1", + "Cc1ccc(B(O)O)cc1.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2I)cc1>>Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1", + "ClC(=NNc1ccccc1)c1ccccc1.OC1CSC(O)CS1>>OC1CSC(c2ccccc2)=NN1c1ccccc1", + "NNc1ccc(F)cc1>>Fc1ccc(-n2ccc(C(F)(F)F)n2)cc1", + "O=[N+]([O-])c1cccc(NN=C(Br)C(F)(F)F)c1.OC1CSC(O)CS1>>O=[N+]([O-])c1cccc(N2N=C(C(F)(F)F)SCC2O)c1", + "FC(F)(F)C(Br)=NNc1ccccc1>>FC(F)(F)c1ccn(-c2ccccc2)n1", + "O=[N+]([O-])c1ccc(NN=C(Br)C(F)(F)F)cc1>>O=[N+]([O-])c1ccc(-n2ccc(C(F)(F)F)n2)cc1", + "COc1ccc(NN)cc1.O=CC(F)(F)F>>COc1ccc(NN=CC(F)(F)F)cc1", + "N#Cc1ccc(NN)cc1>>N#Cc1ccc(NN=C(Br)C(F)(F)F)cc1", + "NNc1cccc([N+](=O)[O-])c1>>O=[N+]([O-])c1cccc(-n2ccc(C(F)(F)F)n2)c1", + "CC(=O)C(Cl)=NNc1c(C)cc(C)cc1C>>CC(=O)c1ccn(-c2c(C)cc(C)cc2C)n1", + "Cc1cc(C)c(N)c(C)c1>>CC(=O)c1ccn(-c2c(C)cc(C)cc2C)n1", + "NS(=O)(=O)c1ccc(NN=C(Br)C(F)(F)F)cc1>>Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1", + "FC(F)(F)C=NNc1ccc(Cl)cc1>>FC(F)(F)c1ccn(-c2ccc(Cl)cc2)n1", + "FC(F)(F)C(Br)=NNc1ccc(OCc2ccccc2)cc1.OC1CSC(O)CS1>>OC1CSC(C(F)(F)F)=NN1c1ccc(OCc2ccccc2)cc1", + "Fc1ccc(NN=CC(F)(F)F)cc1>>Fc1ccc(-n2ccc(C(F)(F)F)n2)cc1", + "FC(F)(F)C=NNc1ccc(Cl)cc1Cl>>FC(F)(F)c1ccn(-c2ccc(Cl)cc2Cl)n1", + "COC(=O)c1ccc(NN)cc1>>COC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1", + "Nc1ccc(Cl)cc1>>CC(=O)C1=NN(c2ccc(Cl)cc2)C=CS1", + "Cc1ccc(NN)cc1.O=CC(F)(F)F>>Cc1ccc(NN=CC(F)(F)F)cc1", + "COc1ccc(NN=C(Br)C(F)(F)F)cc1>>COc1ccc(-n2ccc(C(F)(F)F)n2)cc1", + "Fc1ccc(NN=C(Br)C(F)(F)F)cc1.OC1CSC(O)CS1>>OC1CSC(C(F)(F)F)=NN1c1ccc(F)cc1", + "FC(F)(F)C=NNc1ccc(OCc2ccccc2)cc1>>FC(F)(F)C(Br)=NNc1ccc(OCc2ccccc2)cc1", + "CC(=O)C(Cl)=NNc1ccc([N+](=O)[O-])cc1.OC1CSC(O)CS1>>CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)C(O)CS1", + "FC(F)(F)C(Br)=NNc1ccc(Cl)cc1>>FC(F)(F)c1ccn(-c2ccc(Cl)cc2)n1", + "O=C(Oc1ccc(NN=CC(F)(F)F)cc1)c1ccccc1>>O=C(Oc1ccc(N2N=C(C(F)(F)F)SCC2O)cc1)c1ccccc1", + "Cc1ccc(N2N=C(C(F)(F)F)SCC2O)cc1>>Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1", + "O=[N+]([O-])c1cccc(N2N=C(C(F)(F)F)SCC2O)c1>>O=[N+]([O-])c1cccc(-n2ccc(C(F)(F)F)n2)c1", + "N#Cc1ccc(NN=C(Br)C(F)(F)F)cc1>>N#Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1", + "NNc1ccc(Br)cc1.O=CC(F)(F)F>>FC(F)(F)C=NNc1ccc(Br)cc1", + "CC(=O)C(Cl)=NNc1ccc(Cl)cc1.OC1CSC(O)CS1>>CC(=O)C1=NN(c2ccc(Cl)cc2)C(O)CS1", + "NNc1ccc(Cl)cc1>>OC1CSC(C(F)(F)F)=NN1c1ccc(Cl)cc1", + "OC1CSC(C(F)(F)F)=NN1c1ccc(Br)cc1>>FC(F)(F)c1ccn(-c2ccc(Br)cc2)n1", + "Cc1ccc(NN)cc1>>Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1", + "Cl.NNc1ccc(S(N)(=O)=O)cc1>>NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(F)cc2)cc1", + "NS(=O)(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1>>NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2I)cc1", + "COC(=O)c1ccc(N2N=C(C(F)(F)F)SCC2O)cc1>>COC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1", + "COc1ccc(NN=C(Br)C(F)(F)F)cc1>>COc1ccc(-n2nc(C(F)(F)F)cc2I)cc1", + "NNc1ccc(Br)cc1>>FC(F)(F)C(Br)=NNc1ccc(Br)cc1", + "NNc1ccc(C(F)(F)F)cc1.O=CC(F)(F)F>>FC(F)(F)C=NNc1ccc(C(F)(F)F)cc1", + "NNc1ccc(OCc2ccccc2)cc1>>FC(F)(F)c1ccn(-c2ccc(OCc3ccccc3)cc2)n1", + "OC1CSC(C(F)(F)F)=NN1c1ccc(OCc2ccccc2)cc1>>FC(F)(F)c1ccn(-c2ccc(OCc3ccccc3)cc2)n1", + "COc1ccc(NN=CC(F)(F)F)cc1>>COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1", + "NNc1ccc(Cl)cc1.O=CC(F)(F)F>>FC(F)(F)C=NNc1ccc(Cl)cc1", + "FC(F)(F)C=NNc1ccc(OCc2ccccc2)cc1>>OC1CSC(C(F)(F)F)=NN1c1ccc(OCc2ccccc2)cc1", + "CCOC(=O)C1=NN(c2ccc(C)cc2)C(O)CS1>>CCOC(=O)c1ccn(-c2ccc(C)cc2)n1", + "NNc1ccc(F)cc1>>Fc1ccc(NN=C(Br)C(F)(F)F)cc1", + "CC(=O)C(Cl)=NNc1ccc(C)cc1.OC1CSC(O)CS1>>CC(=O)C1=NN(c2ccc(C)cc2)C(O)CS1", + "CC(=O)C(Cl)C(C)=O.CCOC(=O)c1ccc(N)cc1>>CCOC(=O)c1ccc(NN=C(Cl)C(C)=O)cc1", + "CC(C)c1ccc(NN=CC(F)(F)F)cc1>>CC(C)c1ccc(N2N=C(C(F)(F)F)SCC2O)cc1", + "COc1ccc(-n2ccc(C(F)(F)F)n2)cc1>>COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1", + "ClC(=NNc1ccccc1)c1ccccc1>>c1ccc(-c2ccn(-c3ccccc3)n2)cc1", + "COc1ccc(NN)cc1>>COc1ccc(-n2ccc(C(F)(F)F)n2)cc1", + "N#Cc1ccc(NN=CC(F)(F)F)cc1>>N#Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1", + "CC(=O)C1=NN(c2ccc(Cl)cc2)C(O)CS1>>CC(=O)C1=NN(c2ccc(Cl)cc2)C=CS1", + "Cl.NNc1ccc(S(N)(=O)=O)cc1>>NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)SCC2O)cc1", + "N#Cc1ccc(NN)cc1>>N#Cc1ccc(N2N=C(C(F)(F)F)SCC2O)cc1", + "NNc1ccc([N+](=O)[O-])cc1>>O=[N+]([O-])c1ccc(NN=C(Br)C(F)(F)F)cc1", + "COC(=O)c1ccc(NN=CC(F)(F)F)cc1>>COC(=O)c1ccc(N2N=C(C(F)(F)F)SCC2O)cc1", + "NNc1ccc(OC(=O)c2ccccc2)cc1.O=CC(F)(F)F>>O=C(Oc1ccc(NN=CC(F)(F)F)cc1)c1ccccc1", + "COc1ccc(N2N=C(C(F)(F)F)SCC2O)cc1>>COc1ccc(-n2ccc(C(F)(F)F)n2)cc1", + "CCOC(=O)C(Cl)=NNc1ccc(C)cc1>>CCOC(=O)c1ccn(-c2ccc(C)cc2)n1", + "NNc1ccc([N+](=O)[O-])cc1>>O=[N+]([O-])c1ccc(N2N=C(C(F)(F)F)SCC2O)cc1", + "COc1ccc(NN=CC(F)(F)F)cc1>>COc1ccc(N2N=C(C(F)(F)F)SCC2O)cc1", + "CC(C)c1ccc(NN=C(Br)C(F)(F)F)cc1.OC1CSC(O)CS1>>CC(C)c1ccc(N2N=C(C(F)(F)F)SCC2O)cc1", + "Nc1ccc([N+](=O)[O-])cc1>>CC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1", + "FC(F)(F)C(Br)=NNc1ccc(Cl)cc1Cl.OC1CSC(O)CS1>>OC1CSC(C(F)(F)F)=NN1c1ccc(Cl)cc1Cl", + "Cc1cc(C)c(N)c(C)c1>>CC(=O)C1=NN(c2c(C)cc(C)cc2C)C(O)CS1", + "COc1ccc(NN=C(Cl)C(C)=O)cc1>>COc1ccc(-n2ccc(C(C)=O)n2)cc1", + "COc1ccc(N2N=C(C(C)=O)SCC2O)cc1>>COc1ccc(-n2ccc(C(C)=O)n2)cc1", + "CC(=O)C(Cl)=NNc1ccc([N+](=O)[O-])cc1>>CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)C=CS1", + "CCOC(=O)c1ccc(NN=C(Cl)C(C)=O)cc1>>CCOC(=O)c1ccc(N2C=CSC(C(C)=O)=N2)cc1", + "N#Cc1ccc(NN)cc1.O=CC(F)(F)F>>N#Cc1ccc(NN=CC(F)(F)F)cc1", + "Fc1ccc(NN=CC(F)(F)F)cc1>>OC1CSC(C(F)(F)F)=NN1c1ccc(F)cc1", + "Cc1ccc(NN=CC(F)(F)F)cc1>>Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1", + "O=[N+]([O-])c1ccc(N2N=C(C(F)(F)F)SCC2O)cc1>>O=[N+]([O-])c1ccc(-n2ccc(C(F)(F)F)n2)cc1", + "CCOC(=O)c1ccc(N2N=C(C(C)=O)SCC2O)cc1>>CCOC(=O)c1ccc(-n2ccc(C(C)=O)n2)cc1", + "FC(F)(F)C=NNc1ccc(Br)cc1>>FC(F)(F)c1ccn(-c2ccc(Br)cc2)n1", + "NS(=O)(=O)c1ccc(NN=C(Br)C(F)(F)F)cc1>>NS(=O)(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1", + "CCOC(=O)c1ccc(N2N=C(C(C)=O)SCC2O)cc1>>CCOC(=O)c1ccc(N2C=CSC(C(C)=O)=N2)cc1", + "NNc1ccc([N+](=O)[O-])cc1.O=CC(F)(F)F>>O=[N+]([O-])c1ccc(NN=CC(F)(F)F)cc1", + "Cc1ccc(NN=C(Br)C(F)(F)F)cc1>>Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1", + "N#Cc1ccc(NN=CC(F)(F)F)cc1>>N#Cc1ccc(N2N=C(C(F)(F)F)SCC2O)cc1", + "COC(=O)c1ccc(NN=CC(F)(F)F)cc1>>COC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1", + "FC(F)(F)C(Br)=NNc1ccc(Br)cc1.OC1CSC(O)CS1>>OC1CSC(C(F)(F)F)=NN1c1ccc(Br)cc1", + "COC(=O)c1ccc(NN=C(Br)C(F)(F)F)cc1>>COC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1", + "O=[N+]([O-])c1ccc(NN=CC(F)(F)F)cc1>>O=[N+]([O-])c1ccc(NN=C(Br)C(F)(F)F)cc1", + "NNc1ccc(OC(=O)c2ccccc2)cc1>>O=C(Oc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccccc1", + "N#Cc1ccc(NN=CC(F)(F)F)cc1>>N#Cc1ccc(NN=C(Br)C(F)(F)F)cc1", + "NS(=O)(=O)c1ccc(NN=CC(F)(F)F)cc1>>NS(=O)(=O)c1ccc(NN=C(Br)C(F)(F)F)cc1", + "FC(F)(F)C=NNc1ccc(C(F)(F)F)cc1>>FC(F)(F)c1ccc(-n2ccc(C(F)(F)F)n2)cc1", + "O=C(Oc1ccc(NN=CC(F)(F)F)cc1)c1ccccc1>>O=C(Oc1ccc(NN=C(Br)C(F)(F)F)cc1)c1ccccc1", + "FC(F)(F)C=NNc1ccc(C(F)(F)F)cc1>>OC1CSC(C(F)(F)F)=NN1c1ccc(C(F)(F)F)cc1", + "OC1CSC(C(F)(F)F)=NN1c1ccccc1>>FC(F)(F)c1ccn(-c2ccccc2)n1", + "CC(=O)C(Cl)=NNc1ccc(Cl)cc1>>CC(=O)c1ccn(-c2ccc(Cl)cc2)n1", + "FC(F)(F)C=NNc1ccccc1>>FC(F)(F)c1ccn(-c2ccccc2)n1", + "OC1CSC(C(F)(F)F)=NN1c1ccc(C(F)(F)F)cc1>>FC(F)(F)c1ccc(-n2ccc(C(F)(F)F)n2)cc1", + "COc1ccc(NN)cc1>>COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1", + "NNc1ccc(OC(=O)c2ccccc2)cc1>>O=C(Oc1ccc(N2N=C(C(F)(F)F)SCC2O)cc1)c1ccccc1", + "NS(=O)(=O)c1ccc(NN=CC(F)(F)F)cc1>>NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(F)cc2)cc1", + "CC(=O)C(Cl)C(C)=O.Cc1cc(C)c(N)c(C)c1>>CC(=O)C(Cl)=NNc1c(C)cc(C)cc1C", + "NNc1ccc(Cl)cc1Cl>>FC(F)(F)C(Br)=NNc1ccc(Cl)cc1Cl", + "FC(F)(F)C=NNc1ccc(OCc2ccccc2)cc1>>FC(F)(F)c1ccn(-c2ccc(OCc3ccccc3)cc2)n1", + "OC1CSC(C(F)(F)F)=NN1c1ccc(F)cc1>>Fc1ccc(-n2ccc(C(F)(F)F)n2)cc1", + "FC(F)(F)C=NNc1ccc(Br)cc1>>OC1CSC(C(F)(F)F)=NN1c1ccc(Br)cc1", + "CCOC(=O)c1ccc(NN=C(Cl)C(C)=O)cc1.OC1CSC(O)CS1>>CCOC(=O)c1ccc(N2N=C(C(C)=O)SCC2O)cc1", + 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"C=C(n1nnc(-c2ccccc2)n1)C(F)(F)F.c1ccc2[nH]nnc2c1>>FC(F)(F)C(Cn1nnc2ccccc21)n1nnc(-c2ccccc2)n1", + "C=C(n1nnc(-c2ccccc2)n1)C(F)(F)F.c1nn[nH]n1>>FC(F)(F)C(Cn1cnnn1)n1nnc(-c2ccccc2)n1.FC(F)(F)C(Cn1ncnn1)n1nnc(-c2ccccc2)n1", + "C=C(n1nnc(-c2ccccc2)n1)C(F)(F)F.c1ccc(-c2nn[nH]n2)cc1>>FC(F)(F)C(Cn1nnc(-c2ccccc2)n1)n1nnc(-c2ccccc2)n1", + "C=C(n1nnc(-c2ccccc2)n1)C(F)(F)F.CC(N)c1cccc2ccccc12>>CC(NCC(n1nnc(-c2ccccc2)n1)C(F)(F)F)c1cccc2ccccc12", + "C=C(n1nnc(-c2cccc([N+](=O)[O-])c2)n1)C(F)(F)F.COc1ccc(CN)cc1>>COc1ccc(CNCC(n2nnc(-c3cccc([N+](=O)[O-])c3)n2)C(F)(F)F)cc1", + "C=C(n1nnc(C(=O)OCC)n1)C(F)(F)F.COc1ccc(CN)cc1>>CCOC(=O)c1nnn(C(CNCc2ccc(OC)cc2)C(F)(F)F)n1", + "C=C(n1nnc(-c2ccccc2)n1)C(F)(F)F.CNC>>CN(C)CC(n1nnc(-c2ccccc2)n1)C(F)(F)F", + "C=C(n1nnc(-c2ccccc2)n1)C(F)(F)F.Cc1nc2ccccc2[nH]1>>Cc1nc2ccccc2n1CC(n1nnc(-c2ccccc2)n1)C(F)(F)F", + "C=C(n1nnc(-c2ccccc2)n1)C(F)(F)F.NCCc1ccc(Br)cc1>>FC(F)(F)C(CNCCc1ccc(Br)cc1)n1nnc(-c2ccccc2)n1", + "C=C(n1nnc(CCCC)n1)C(F)(F)F.COc1ccc(CN)cc1>>CCCCc1nnn(C(CNCc2ccc(OC)cc2)C(F)(F)F)n1", + "C=C(n1nnc(-c2ccccc2)n1)C(F)(F)F.COc1ccc(CN)cc1>>COc1ccc(CN2CC(C(F)(F)F)NN=C2c2ccccc2)cc1", + "C=C(n1nnc(-c2ccccc2)n1)C(F)(F)F.NCCc1c[nH]c2ccccc12>>FC(F)(F)C(CNCCc1c[nH]c2ccccc12)n1nnc(-c2ccccc2)n1", + "C=C(n1nnc(-c2ccccc2)n1)C(F)(F)F.CC(C)(C)N>>CC(C)(C)NCC(n1nnc(-c2ccccc2)n1)C(F)(F)F", + "C=C(n1nnc(C=Cc2ccccc2)n1)C(F)(F)F.COc1ccc(CN)cc1>>COc1ccc(CNCC(n2nnc(C=Cc3ccccc3)n2)C(F)(F)F)cc1", + "C=C(n1nnc(-c2ccccc2)n1)C(F)(F)F.CNCCc1ccccc1>>CN(CCc1ccccc1)CC(n1nnc(-c2ccccc2)n1)C(F)(F)F", + "C=C(n1nnc(-c2ccccc2)n1)C(F)(F)F.Cc1cccc(C)c1OCC(C)N.Cl>>Cc1cccc(C)c1OCC(C)NCC(n1nnc(-c2ccccc2)n1)C(F)(F)F", + "C=C(n1nnc(-c2ccccc2)n1)C(F)(F)F>>FC(F)(F)C1CN(CCCc2ccccc2)C(c2ccccc2)=NN1", + "FC(F)(F)C(CNCCc1c[nH]c2ccccc12)n1nnc(-c2ccccc2)n1>>FC(F)(F)C1CN(CCc2c[nH]c3ccccc23)C(c2ccccc2)=NN1", + "C=C(n1nnc(-c2ccccc2)n1)C(F)(F)F.NCCc1ccc(Br)cc1>>FC(F)(F)C1CN(CCc2ccc(Br)cc2)C(c2ccccc2)=NN1", + "C=C(n1nnc(-c2ccccc2)n1)C(F)(F)F.NCCc1ccc2c(c1)OCO2>>FC(F)(F)C(CNCCc1ccc2c(c1)OCO2)n1nnc(-c2ccccc2)n1", + "C=C(n1nnc(-c2ccccc2)n1)C(F)(F)F.CCCc1ncc[nH]1>>CCCc1nccn1CC(n1nnc(-c2ccccc2)n1)C(F)(F)F", + "C=C(n1nnc(-c2ccccc2)n1)C(F)(F)F.CC(C)(C)OC(=O)CN>>CC(C)(C)OC(=O)CNCC(n1nnc(-c2ccccc2)n1)C(F)(F)F", + "C=C(n1nnc(-c2ccc(Cl)cc2)n1)C(F)(F)F.COc1ccc(CN)cc1>>COc1ccc(CNCC(n2nnc(-c3ccc(Cl)cc3)n2)C(F)(F)F)cc1", + "C=C(n1nnc(-c2ccsc2)n1)C(F)(F)F.COc1ccc(CN)cc1>>COc1ccc(CNCC(n2nnc(-c3ccsc3)n2)C(F)(F)F)cc1", + "C=C(n1nnc(-c2ccccc2)n1)C(F)(F)F.c1cn[nH]c1>>FC(F)(F)C(Cn1cccn1)n1nnc(-c2ccccc2)n1", + "C=C(n1nnc(SCc2ccccc2)n1)C(F)(F)F.COc1ccc(CN)cc1>>COc1ccc(CNCC(n2nnc(SCc3ccccc3)n2)C(F)(F)F)cc1", + "C=C(n1nnc(CCCC)n1)C(F)(F)F.COc1ccc(CN)cc1>>CCCCC1=NNC(C(F)(F)F)CN1Cc1ccc(OC)cc1", + "C=C(n1nnc(-c2ccccc2)n1)C(F)(F)F.c1nc[nH]n1>>FC(F)(F)C(Cn1cncn1)n1nnc(-c2ccccc2)n1", + "C=C(n1nnc(-c2ccccc2)n1)C(F)(F)F.c1c[nH]nn1>>FC(F)(F)C(Cn1ccnn1)n1nnc(-c2ccccc2)n1", + 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"C#Cc1ccc(N)cc1.O=C(O)C#Cc1ccccc1>>C#Cc1ccc(NC(=O)C#Cc2ccccc2)cc1", + "O=C(C#Cc1ccccc1)Nc1ccccc1>>CC12CC1(C(=O)c1ccccc1)C(=O)N(c1ccccc1)C2=O", + "Cc1ccc(C#CC(=O)O)cc1>>Cc1ccc(C(=O)C23CC2(C)C(=O)N(c2ccc(C)cc2)C3=O)cc1", + "Cc1ccc(N)cc1>>Cc1ccc(N2C(=O)C3(C)CC3(C(=O)c3ccc(F)cc3)C2=O)cc1", + "Cc1ccc(N)cc1>>C=C(C)C(=O)N(C(=O)C#Cc1ccccc1C)c1ccc(C)cc1", + "Cc1ccc(N)cc1.O=C(O)C#Cc1ccc2ccccc2c1>>Cc1ccc(NC(=O)C#Cc2ccc3ccccc3c2)cc1", + "C=C(C)C(=O)Cl.Cc1ccc(NC(=O)C#Cc2ccccc2)cc1>>C=C(C)C(=O)N(C(=O)C#Cc1ccccc1)c1ccc(C)cc1", + "C=C(C)C(=O)N(Cc1ccccc1)C(=O)C#Cc1ccccc1>>CC12CC1(C(=O)c1ccccc1)C(=O)N(Cc1ccccc1)C2=O", + "C=C(CC(=O)OC)C(=O)O>>C=C(CC(=O)OC)C(=O)Cl", + "Cc1ccc(N)cc1.Cc1ccccc1C#CC(=O)O>>Cc1ccc(NC(=O)C#Cc2ccccc2C)cc1", + "C=CC(=O)OC.CC12CC1(C(=O)c1ccccc1)C(=O)N(c1ccc(I)cc1)C2=O>>COC(=O)C=Cc1ccc(N2C(=O)C3(C)CC3(C(=O)c3ccccc3)C2=O)cc1", + "O=C(O)C#Cc1ccccc1>>C=CC(=O)N(C(=O)C#Cc1ccccc1)c1ccc(C)cc1", + "Cc1ccc(N)cc1>>Cc1ccc(N2C(=O)C3(C)CC3(C(=O)c3ccccc3)C2=O)cc1", + "C=C(C)C(=O)Cl.Cc1ccc(NC(=O)C#Cc2ccccc2C)cc1>>C=C(C)C(=O)N(C(=O)C#Cc1ccccc1C)c1ccc(C)cc1", + "O=C(O)C#Cc1cccs1>>C=C(C)C(=O)N(C(=O)C#Cc1cccs1)c1ccc(C)cc1", + "Cc1cc(N)cc(C)c1C>>Cc1cc(N2C(=O)C3(C)CC3(C(=O)c3ccccc3)C2=O)cc(C)c1C", + "C=C(Cc1ccccc1)C(=O)Cl.O=C(C#Cc1ccccc1)NCc1ccccc1>>C=C(Cc1ccccc1)C(=O)N(Cc1ccccc1)C(=O)C#Cc1ccccc1", + "O=C(O)C#Cc1ccccc1>>C=C(C)C(=O)N(Cc1ccccc1)C(=O)C#Cc1ccccc1", + "O=C(O)C#Cc1ccccc1>>C=C(C)C(=O)N(C(=O)C#Cc1ccccc1)c1ccccc1C", + "Nc1ccc(Br)cc1>>C=C(C)C(=O)N(C(=O)C#Cc1ccccc1)c1ccc(Br)cc1", + "O=C(C#Cc1ccccc1)Nc1ccc(I)cc1>>CC12CC1(C(=O)c1ccccc1)C(=O)N(c1ccc(I)cc1)C2=O", + "NCc1ccccc1>>C=C(Cc1ccccc1)C(=O)N(Cc1ccccc1)C(=O)C#Cc1ccccc1", + "Cc1ccc(N)cc1>>C=C(C)C(=O)N(C(=O)C#Cc1cccc(Cl)c1)c1ccc(C)cc1", + "C=C(C)C(=O)N(C(=O)C#Cc1ccccc1Cl)c1ccc(C)cc1>>Cc1ccc(N2C(=O)C3(C)CC3(C(=O)c3ccccc3Cl)C2=O)cc1", + "Cc1ccc(N)cc1>>C=C(C)C(=O)N(C(=O)C#CC)c1ccc(C)cc1", + "C=C(Cc1ccccc1)C(=O)O>>C=C(Cc1ccccc1)C(=O)N(Cc1ccccc1)C(=O)C#Cc1ccccc1", + "C=C(C)C(=O)N(C(=O)C#Cc1ccccc1)c1ccc(C)cc1>>Cc1ccc(N2C(=O)C3(C)CC3(C(=O)c3ccccc3)C2=O)cc1", + "Cc1ccc(N)cc1>>Cc1ccc(N2C(=O)C3(C)CC3(C(=O)c3cccs3)C2=O)cc1", + "C=C(CC(=O)OC)C(=O)Cl.O=C(C#Cc1ccccc1)NCc1ccccc1>>COC(=O)CC12CC1(C(=O)c1ccccc1)C(=O)N(Cc1ccccc1)C2=O", + "O=C(O)C#Cc1ccccc1>>C=C(C)C(=O)N(C(=O)C#Cc1ccccc1)c1cc(C)cc(C)c1", + "C=C(CC(=O)OC)C(=O)O>>C=C(CC(=O)OC)C(=O)N(Cc1ccccc1)C(=O)C#Cc1ccccc1", + "C#Cc1ccc(NC(=O)C#Cc2ccccc2)cc1>>C#Cc1ccc(N2C(=O)C3(C)CC3(C(=O)c3ccccc3)C2=O)cc1", + "O=C(C#Cc1ccccc1)NCc1ccccc1>>CC12CC1(C(=O)c1ccccc1)C(=O)N(Cc1ccccc1)C2=O", + "C=C(C)C(=O)N(C(=O)C#Cc1ccccc1)c1ccc(F)cc1>>CC12CC1(C(=O)c1ccccc1)C(=O)N(c1ccc(F)cc1)C2=O", + "C=C(C)C(=O)Cl.Cc1ccc(NC(=O)C#Cc2cccs2)cc1>>C=C(C)C(=O)N(C(=O)C#Cc1cccs1)c1ccc(C)cc1", + "Cc1ccc(N)cc1.O=C(O)C#Cc1cccs1>>Cc1ccc(NC(=O)C#Cc2cccs2)cc1", + "Nc1ccc(C(F)(F)F)cc1.O=C(O)C#Cc1ccccc1>>O=C(C#Cc1ccccc1)Nc1ccc(C(F)(F)F)cc1", + "Cc1ccc(N)cc1.O=C(O)C#Cc1ccccc1Cl>>Cc1ccc(NC(=O)C#Cc2ccccc2Cl)cc1", + "CC(C)=CC(=O)O>>CC(C)=CC(=O)Cl", + "O=C(O)C#Cc1ccccc1>>C=C(C)C(=O)N(C(=O)C#Cc1ccccc1)c1ccc(-c2ccccc2)cc1", + "Nc1ccc(Cl)cc1>>C=C(C)C(=O)N(C(=O)C#Cc1ccccc1)c1ccc(Cl)cc1", + "C=C(C)C(=O)Cl.Cc1ccc(NC(=O)C#Cc2ccccc2Cl)cc1>>C=C(C)C(=O)N(C(=O)C#Cc1ccccc1Cl)c1ccc(C)cc1", + "Cc1ccccc1NC(=O)C#Cc1ccccc1>>Cc1ccccc1N1C(=O)C2(C)CC2(C(=O)c2ccccc2)C1=O", + "O=C(O)C#Cc1ccc(F)cc1>>Cc1ccc(N2C(=O)C3(C)CC3(C(=O)c3ccc(F)cc3)C2=O)cc1", + "C=C(C)C(=O)N(C(=O)C#Cc1cccs1)c1ccc(C)cc1>>Cc1ccc(N2C(=O)C3(C)CC3(C(=O)c3cccs3)C2=O)cc1", + "O=C(O)C#Cc1ccccc1>>CC(C)=CC(=O)N(C(=O)C#Cc1ccccc1)c1ccc(C)cc1", + "C=C(C)C(=O)Cl.O=C(C#Cc1ccccc1)Nc1ccc(Br)cc1>>C=C(C)C(=O)N(C(=O)C#Cc1ccccc1)c1ccc(Br)cc1", + "C=C(C)C(=O)N(C(=O)C#Cc1ccc(F)cc1)c1ccc(C)cc1>>Cc1ccc(N2C(=O)C3(C)CC3(C(=O)c3ccc(F)cc3)C2=O)cc1", + "O=C(O)C1=CCCC1>>O=C(Cl)C1=CCCC1", + "C=C(C)C(=O)N(C(=O)C#Cc1ccccc1)c1ccc(Cl)cc1>>CC12CC1(C(=O)c1ccccc1)C(=O)N(c1ccc(Cl)cc1)C2=O", + "C=CC(=O)Cl.Cc1ccc(NC(=O)C#Cc2ccccc2)cc1>>C=CC(=O)N(C(=O)C#Cc1ccccc1)c1ccc(C)cc1", + "C=C(C)C(=O)Cl.Cc1ccc(N)cc1>>C=C(C)C(=O)Nc1ccc(C)cc1", + "Cc1ccc(N)cc1>>C=C(C)C(=O)N(C(=O)C#Cc1cccs1)c1ccc(C)cc1", + "Cc1ccc(N)cc1>>Cc1ccc(N(C(=O)C#Cc2ccccc2)C(=O)C2=CCCCC2)cc1", + "Nc1ccc(C(F)(F)F)cc1>>CC12CC1(C(=O)c1ccccc1)C(=O)N(c1ccc(C(F)(F)F)cc1)C2=O", + "CC=C(C)C(=O)N(Cc1ccccc1)C(=O)C#Cc1ccccc1>>CC1C2(C)C(=O)N(Cc3ccccc3)C(=O)C12C(=O)c1ccccc1", + "COc1ccc(C#CC(=O)O)cc1>>COc1ccc(C(=O)C23CC2(C)C(=O)N(c2ccc(C)cc2)C3=O)cc1", + "O=C(O)C#Cc1ccccc1>>CC=CC(=O)N(C(=O)C#Cc1ccccc1)c1ccc(C)cc1", + "C=C(Cc1ccccc1)C(=O)O>>O=C1N(Cc2ccccc2)C(=O)C2(C(=O)c3ccccc3)CC12Cc1ccccc1", + "O=C(O)C#Cc1ccccc1>>C=C(C)C(=O)N(C(=O)C#Cc1ccccc1)c1ccccc1", + "O=C(O)C1=CCCCC1>>Cc1ccc(N(C(=O)C#Cc2ccccc2)C(=O)C2=CCCCC2)cc1", + "O=C(O)C#Cc1ccccc1>>C=C(C)C(=O)N(C(=O)C#Cc1ccccc1)c1ccc(I)cc1", + "C=C(Cc1ccccc1)C(=O)O>>C=C(Cc1ccccc1)C(=O)Cl", + "C=C(C)C(=O)N(C(=O)C#Cc1ccccc1)c1ccccc1>>CC12CC1(C(=O)c1ccccc1)C(=O)N(c1ccccc1)C2=O", + "Cc1ccccc1C#CC(=O)O>>C=C(C)C(=O)N(C(=O)C#Cc1ccccc1C)c1ccc(C)cc1", + "NCc1ccccc1>>O=C1N(Cc2ccccc2)C(=O)C2(C(=O)c3ccccc3)CC12Cc1ccccc1", + "CC=CC(=O)Cl.Cc1ccc(NC(=O)C#Cc2ccccc2)cc1>>CC=CC(=O)N(C(=O)C#Cc1ccccc1)c1ccc(C)cc1", + "C=C(CC(=O)OC)C(=O)O>>COC(=O)CC12CC1(C(=O)c1ccccc1)C(=O)N(Cc1ccccc1)C2=O", + "O=C(C#Cc1ccccc1)Nc1ccc(F)cc1>>CC12CC1(C(=O)c1ccccc1)C(=O)N(c1ccc(F)cc1)C2=O", + "O=C(O)C#Cc1ccccc1>>C=C(C)C(=O)N(C(=O)C#Cc1ccccc1)c1ccc(C(F)(F)F)cc1", + "Cc1ccccc1N>>Cc1ccccc1N1C(=O)C2(C)CC2(C(=O)c2ccccc2)C1=O", + "CCOC(=O)Cc1ccc(N)cc1.O=C(O)C#Cc1ccccc1>>CCOC(=O)Cc1ccc(NC(=O)C#Cc2ccccc2)cc1", + "C=C(CC(=O)OC)C(=O)Cl.O=C(C#Cc1ccccc1)NCc1ccccc1>>C=C(CC(=O)OC)C(=O)N(Cc1ccccc1)C(=O)C#Cc1ccccc1", + "O=C(O)C#Cc1ccccc1>>CC=C(C)C(=O)N(Cc1ccccc1)C(=O)C#Cc1ccccc1", + "C=C(C)C(=O)Cl.O=C(C#Cc1ccccc1)Nc1ccc(F)cc1>>C=C(C)C(=O)N(C(=O)C#Cc1ccccc1)c1ccc(F)cc1", + "Cc1ccc(N)cc1>>C=C(C)C(=O)N(C(=O)C#Cc1ccc(C)cc1)c1ccc(C)cc1", + "C=C(C)C(=O)N(C(=O)C#Cc1ccccc1)c1ccc(CC(=O)OCC)cc1>>CCOC(=O)Cc1ccc(N2C(=O)C3(C)CC3(C(=O)c3ccccc3)C2=O)cc1", + 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"Nc1ccccc1O>>COc1ccc(C2=C(Cl)C3(COc4ccccc4N3)c3ccc(OC)cc32)cc1", + "CC(C)(C)c1ccc2c(c1)N=C(c1ccccc1)CO2.COc1ccc(C#CCl)cc1>>COc1ccc(C2=C(Cl)C3(COc4ccc(C(C)(C)C)cc4N3)c3ccccc32)cc1", + "C#Cc1ccc(OC)cc1>>COc1ccc(C2=C(Cl)C3(COc4ccc(C)cc4N3)c3ccccc32)cc1", + "CC(C)(C)c1ccc(O)c(N)c1.O=C(CBr)c1ccccc1>>CC(C)(C)c1ccc2c(c1)N=C(c1ccccc1)CO2", + "ClC#Cc1ccccc1>>C1=C(c2ccccc2)c2ccccc2C12COc1ccccc1N2", + "COc1ccc(C(=O)CBr)cc1>>COc1ccc(C2=C(Cl)C3(COc4ccccc4N3)c3ccc(OC)cc32)cc1", + "C#Cc1ccccc1>>c1ccc(C2=C(c3ccco3)C3(COc4ccccc4N3)c3ccccc32)cc1", + "C#Cc1ccc(C(F)(F)F)cc1>>FC(F)(F)c1ccc(C2=C(Cl)C3(COc4ccccc4N3)c3ccccc32)cc1", + "Nc1ccccc1O>>CC(C)(C)c1ccc(C2=C(Cl)C3(COc4ccccc4N3)c3ccccc32)cc1", + "O=C(CBr)c1ccccc1>>Cc1ccc(C2=C(c3cccc(C)c3)c3ccccc3C23COc2ccccc2N3)cc1", + "CCCCCCC#CCl.O=[N+]([O-])c1ccc2c(c1)N=C(c1ccccc1)CO2>>CCCCCCC1=C(Cl)C2(COc3ccc([N+](=O)[O-])cc3N2)c2ccccc21", + "Cc1ccc(N)c(O)c1.O=C(CBr)c1ccccc1>>Cc1ccc2c(c1)OCC(c1ccccc1)=N2", + "ClC#Cc1ccc(Cl)cc1.c1ccc(C2=Nc3ccccc3OC2)cc1>>ClC1=C(c2ccc(Cl)cc2)c2ccccc2C12COc1ccccc1N2", + "Cc1ccc(O)c(N)c1>>Cc1ccc(C2=C(Cl)C3(COc4ccc(C)cc4N3)c3ccccc32)cc1", + "O=C(CBr)c1ccccc1>>Cc1ccc(C2=C(Cl)C3(COc4cc(C)ccc4N3)c3ccccc32)cc1", + "CC(C)(C)c1ccc(O)c(N)c1>>COc1ccc(C2=C(Cl)C3(COc4ccc(C(C)(C)C)cc4N3)c3ccccc32)cc1", + "Nc1ccccc1O>>COc1ccc(C2=C(Cl)C3(COc4ccccc4N3)c3ccccc32)cc1", + "O=C(CBr)c1ccccc1>>CCCCCCC1=CC2(COc3ccccc3N2)c2ccccc21", + "c1ccc(C2=Nc3ccccc3OC2)cc1>>CCCCC1=C(c2ccccc2)c2ccccc2C12COc1ccccc1N2", + "ClC#Cc1ccccc1>>CC1(C)OB(C2=C(c3ccccc3)c3ccccc3C23COc2ccccc2N3)OC1(C)C", + "C#Cc1ccc(OC)cc1>>COc1ccc(C2=C(Cl)C3(COc4ccccc4N3)c3ccccc32)cc1", + "Nc1ccccc1O>>CCCCCCC1=C(Cl)C2(COc3ccccc3N2)c2ccc(C(F)(F)F)cc21", + "CCCCCCC1=C(Cl)C2(COc3ccccc3N2)c2ccccc21>>CCCCCCC1=CC2(COc3ccccc3N2)c2ccccc21", + "Nc1ccccc1O>>CCCCC1=C(Cl)C2(COc3ccccc3N2)c2ccc(OC)cc21", + "C#Cc1ccccc1>>ClC#Cc1ccccc1", + "c1ccc(C2=Nc3ccccc3OC2)cc1>>c1ccc(C2=C(c3ccco3)C3(COc4ccccc4N3)c3ccccc32)cc1", + "O=C(CBr)c1ccccc1>>Cc1ccc(C2=C(c3cccc(C)c3)C3(COc4ccccc4N3)c3ccccc32)cc1.Cc1ccc(C2=C(c3cccc(C)c3)c3ccccc3C23COc2ccccc2N3)cc1", + "c1ccc(C2=Nc3ccccc3OC2)cc1>>CCCCCCC1=CC2(COc3ccccc3N2)c2ccccc21", + "C#Cc1ccc(C)cc1>>Cc1ccc(C2=C(Cl)C3(COc4cc(C)ccc4N3)c3ccccc32)cc1", + "CCCCCCC#CCl.FC(F)(F)c1ccc(C2=Nc3ccccc3OC2)cc1>>CCCCCCC1=C(Cl)C2(COc3ccccc3N2)c2ccc(C(F)(F)F)cc21", + "C#CCCCCCC>>CCCCCCC1=C(CCCC)C2(COc3ccccc3N2)c2ccccc21", + "C#Cc1ccccc1>>CC1(C)OB(C2=C(c3ccccc3)c3ccccc3C23COc2ccccc2N3)OC1(C)C", + "Nc1ccccc1O>>Cc1ccc(C2=C(c3cccc(C)c3)c3ccccc3C23COc2ccccc2N3)cc1", + "Cc1cccc(C#CCl)c1.c1ccc(C2=Nc3ccccc3OC2)cc1>>Cc1cccc(C2=C(Cl)C3(COc4ccccc4N3)c3ccccc32)c1", + "CCCCCCC#CCl>>CCCCCCC1=CC2(COc3ccccc3N2)c2ccccc21", + "COc1ccc(C#CCl)cc1.c1ccc2c(c1)N=C(c1ccc3ccccc3c1)CO2>>COc1ccc(C2=C(Cl)C3(COc4ccccc4N3)c3cc4ccccc4cc32)cc1", + "CCCCB(O)O.CCCCCCC1=C(Cl)C2(COc3ccccc3N2)c2ccccc21>>CCCCCCC1=C(CCCC)C2(COc3ccccc3N2)c2ccccc21", + "Nc1ccccc1O>>CCCCCCC1=C(CCCC)C2(COc3ccccc3N2)c2ccccc21", + "Cc1ccc(C#CCl)cc1.c1ccc(C2=Nc3ccccc3OC2)cc1>>Cc1ccc(C2=C(Cl)C3(COc4ccccc4N3)c3ccccc32)cc1", + "O=C(CBr)c1ccccc1>>Cc1ccc(C2=C(Cl)C3(COc4ccc(C)cc4N3)c3ccccc32)cc1", + "C#Cc1ccccc1>>C1=C(c2ccccc2)c2ccccc2C12COc1ccccc1N2", + "ClC#Cc1ccccc1.O=c1oc2ccccc2nc1-c1ccccc1>>O=C1Oc2ccccc2NC12C(Cl)=C(c1ccccc1)c1ccccc12", + "C#Cc1ccc(C)cc1>>Cc1ccc(C2=C(Cl)C3(COc4ccc(C(C)(C)C)cc4N3)c3ccccc32)cc1", + "C#CC1CCCCC1>>ClC1=C(C2CCCCC2)c2ccccc2C12COc1ccccc1N2", + "c1ccc(C2=Nc3ccccc3OC2)cc1>>CC1(C)OB(C2=C(c3ccccc3)c3ccccc3C23COc2ccccc2N3)OC1(C)C", + "C#Cc1ccc(OC)cc1>>COc1ccc(C2=C(Cl)C3(COc4ccccc4N3)c3ccc(OC)cc32)cc1", + "Nc1ccccc1O>>CCCCC1=C(Cl)C2(COc3ccccc3N2)c2ccccc21", + "O=C(CBr)c1ccccc1>>COc1ccc(C2=C(Cl)C3(COc4ccccc4N3)c3ccccc32)cc1", + "Nc1ccccc1O.O=C(CBr)c1ccccc1>>c1ccc(C2=Nc3ccccc3OC2)cc1", + "CCCCC#CCl.c1ccc(C2=Nc3ccccc3OC2)cc1>>CCCCC1=C(Cl)C2(COc3ccccc3N2)c2ccccc21", + "C#CCCCCCC>>CCCCCCC1=CC2(COc3ccccc3N2)c2ccccc21", + "COc1ccc(C#CCl)cc1.COc1ccc(C2=Nc3ccccc3OC2)cc1>>COc1ccc(C2=C(Cl)C3(COc4ccccc4N3)c3ccc(OC)cc32)cc1", + "Cc1ccc(C#CCl)cc1.Cc1ccc2c(c1)N=C(c1ccccc1)CO2>>Cc1ccc(C2=C(Cl)C3(COc4ccc(C)cc4N3)c3ccccc32)cc1", + "C#Cc1ccccc1>>O=C1Oc2ccccc2NC12C(Cl)=C(c1ccccc1)c1ccccc12", + "ClC#Cc1ccccc1>>CCCCC1=C(c2ccccc2)c2ccccc2C12COc1ccccc1N2", + "O=C(CBr)c1ccc(C(F)(F)F)cc1>>COc1ccc(C2=C(Cl)C3(COc4ccccc4N3)c3ccc(C(F)(F)F)cc32)cc1", + "Nc1ccccc1O>>Cc1ccc(C2=C(Cl)C3(COc4ccccc4N3)c3ccccc32)cc1", + "O=C(CBr)c1ccccc1>>COc1ccc2c(c1)NC1(CO2)C(Cl)=C(c2ccccc2)c2ccccc21", + "C#Cc1ccc(OC)cc1>>COc1ccc(C2=C(Cl)C3(COc4ccccc4N3)c3ccc(C(F)(F)F)cc32)cc1", + "Nc1ccccc1O>>CCCCC1=C(c2ccccc2)c2ccccc2C12COc1ccccc1N2", + "C#CCCCC>>CCCCC1=C(Cl)C2(COc3ccccc3N2)c2ccc(OC)cc21", + "ClC#Cc1ccccc1>>c1ccc(C2=C(c3ccco3)C3(COc4ccccc4N3)c3ccccc32)cc1", + "c1ccc(C2=Nc3ccccc3OC2)cc1>>C1=C(c2ccccc2)c2ccccc2C12COc1ccccc1N2", + "C#Cc1ccc(OC)cc1>>COc1ccc(C#CCl)cc1", + "Nc1ccccc1O>>CCCCCCC1=CC2(COc3ccccc3N2)c2ccccc21", + "O=C(CBr)c1ccccc1>>Cc1ccc(C2=C(Cl)C3(COc4ccccc4N3)c3ccccc32)cc1", + "O=C(CBr)c1ccc(C(F)(F)F)cc1>>CCCCCCC1=C(Cl)C2(COc3ccccc3N2)c2ccc(C(F)(F)F)cc21", + "C#Cc1ccccc1>>ClC1=C(c2ccccc2)c2cc3ccccc3cc2C12COc1ccccc1N2", + "C#Cc1ccc(OC)cc1>>COc1ccc(C2=C(Cl)C3(COc4ccccc4N3)c3cc4ccccc4cc32)cc1", + "Nc1ccccc1O>>FC(F)(F)c1ccc(C2=C(Cl)C3(COc4ccccc4N3)c3ccccc32)cc1", + "Nc1ccccc1O>>COc1ccc(C2=C(Cl)C3(COc4ccccc4N3)c3ccc(C(F)(F)F)cc32)cc1", + "O=C(CBr)c1ccccc1>>C1=C(c2ccccc2)c2ccccc2C12COc1ccccc1N2", + "COc1ccc(C#CCl)cc1.Cc1ccc2c(c1)N=C(c1ccccc1)CO2>>COc1ccc(C2=C(Cl)C3(COc4ccc(C)cc4N3)c3ccccc32)cc1", + "CCCCC#CCl.COc1ccc(C2=Nc3ccccc3OC2)cc1>>CCCCC1=C(Cl)C2(COc3ccccc3N2)c2ccc(OC)cc21", + "FC(F)(F)c1ccc(C#CCl)cc1.c1ccc(C2=Nc3ccccc3OC2)cc1>>FC(F)(F)c1ccc(C2=C(Cl)C3(COc4ccccc4N3)c3ccccc32)cc1", + "Nc1ccccc1O>>Cc1ccc(C2=C(c3cccc(C)c3)C3(COc4ccccc4N3)c3ccccc32)cc1.Cc1ccc(C2=C(c3cccc(C)c3)c3ccccc3C23COc2ccccc2N3)cc1", + "C#Cc1ccc(C(C)(C)C)cc1>>CC(C)(C)c1ccc(C2=C(Cl)C3(COc4ccccc4N3)c3ccccc32)cc1", + "C#Cc1ccc(C)cc1>>COc1ccc2c(c1)NC1(CO2)C(Cl)=C(c2ccc(C)cc2)c2ccccc21", + "COc1ccc(C#CCl)cc1.Cc1ccc2c(c1)OCC(c1ccccc1)=N2>>COc1ccc(C2=C(Cl)C3(COc4cc(C)ccc4N3)c3ccccc32)cc1", + "O=C(CBr)c1ccccc1>>Cc1ccc(C2=C(Cl)C3(COc4ccc(C(C)(C)C)cc4N3)c3ccccc32)cc1", + "O=C(CBr)c1ccccc1>>ClC1=C(c2ccc(Cl)cc2)c2ccccc2C12COc1ccccc1N2", + "O=C(CBr)c1ccccc1>>COc1ccc(C2=C(Cl)C3(COc4ccc(C)cc4N3)c3ccccc32)cc1", + "ClC1=C(c2ccccc2)c2ccccc2C12COc1ccccc1N2>>C1=C(c2ccccc2)c2ccccc2C12COc1ccccc1N2", + "Nc1ccccc1O>>ClC1=C(c2ccccc2)c2ccccc2C12COc1ccccc1N2", + "O=C(CBr)c1ccccc1>>COc1ccc(C2=C(Cl)C3(COc4ccc(C(C)(C)C)cc4N3)c3ccccc32)cc1", + "O=C(CBr)c1ccccc1>>Cc1ccc(C2=C(c3cccc(C)c3)C3(COc4ccccc4N3)c3ccccc32)cc1", + "Nc1ccccc1O.O=C(CBr)c1ccc(C(F)(F)F)cc1>>FC(F)(F)c1ccc(C2=Nc3ccccc3OC2)cc1", + "O=C(CBr)c1ccccc1>>CCCCC1=C(c2ccccc2)c2ccccc2C12COc1ccccc1N2", + "C#Cc1ccc(OC)cc1>>COc1ccc(C2=C(Cl)C3(COc4ccc(C(C)(C)C)cc4N3)c3ccccc32)cc1", + "O=C(CBr)c1ccccc1>>ClC1=C(c2ccccc2)c2ccccc2C12COc1ccccc1N2", + "C#Cc1ccccc1>>CCCCC1=C(c2ccccc2)c2ccccc2C12COc1ccccc1N2", + "O=C(CBr)c1ccccc1>>CCCCCCC1=C(CCCC)C2(COc3ccccc3N2)c2ccccc21", + "C#Cc1ccc(OC)cc1>>COc1ccc(C2=C(Cl)C3(COc4cc(C)ccc4N3)c3ccccc32)cc1", + "C#Cc1cccc(C)c1>>Cc1ccc(C2=C(c3cccc(C)c3)c3ccccc3C23COc2ccccc2N3)cc1", + "Cc1cccc(C#CCl)c1.c1ccc(C2=Nc3ccccc3OC2)cc1>>Cc1ccc(C2=C(c3cccc(C)c3)c3ccccc3C23COc2ccccc2N3)cc1", + "CC(C)(C)c1ccc(O)c(N)c1>>Cc1ccc(C2=C(Cl)C3(COc4ccc(C(C)(C)C)cc4N3)c3ccccc32)cc1", + "Nc1ccccc1O>>CC1(C)OB(C2=C(c3ccccc3)c3ccccc3C23COc2ccccc2N3)OC1(C)C", + "c1ccc(C2=Nc3ccccc3OC2)cc1>>CCCCCCC1=C(CCCC)C2(COc3ccccc3N2)c2ccccc21", + "C#Cc1ccc(C(F)(F)F)cc1>>FC(F)(F)c1ccc(C#CCl)cc1", + "Cc1ccc(C#Cc2cccc(C)c2)cc1.c1ccc(C2=Nc3ccccc3OC2)cc1>>Cc1ccc(C2=C(c3cccc(C)c3)C3(COc4ccccc4N3)c3ccccc32)cc1.Cc1ccc(C2=C(c3cccc(C)c3)c3ccccc3C23COc2ccccc2N3)cc1", + "Cc1ccc(N)c(O)c1>>COc1ccc(C2=C(Cl)C3(COc4cc(C)ccc4N3)c3ccccc32)cc1", + "C#CCCCCCC>>CCCCCCC1=C(Cl)C2(COc3ccccc3N2)c2ccc(C(F)(F)F)cc21", + "O=C(CBr)c1ccccc1>>c1ccc(C2=C(c3ccco3)C3(COc4ccccc4N3)c3ccccc32)cc1", + "Nc1ccccc1O>>ClC1=C(c2ccc(Cl)cc2)c2ccccc2C12COc1ccccc1N2", + "COc1ccc2c(c1)N=C(c1ccccc1)CO2.Cc1ccc(C#CCl)cc1>>COc1ccc2c(c1)NC1(CO2)C(Cl)=C(c2ccc(C)cc2)c2ccccc21", + "COc1ccc(C(=O)CBr)cc1>>CCCCC1=C(Cl)C2(COc3ccccc3N2)c2ccc(OC)cc21", + "O=C(CBr)c1ccccc1>>ClC1=C(C2CCCCC2)c2ccccc2C12COc1ccccc1N2", + "ClC1=C(c2ccccc2)c2ccccc2C12COc1ccccc1N2.OB(O)c1ccco1>>c1ccc(C2=C(c3ccco3)C3(COc4ccccc4N3)c3ccccc32)cc1", + "Nc1ccccc1O>>ClC1=C(c2ccccc2)c2cc3ccccc3cc2C12COc1ccccc1N2", + "Nc1ccccc1O>>ClC1=C(C2CCCCC2)c2ccccc2C12COc1ccccc1N2", + "Nc1cc([N+](=O)[O-])ccc1O.O=C(CBr)c1ccccc1>>CCCCCCC1=C(Cl)C2(COc3ccc([N+](=O)[O-])cc3N2)c2ccccc21", + "Cc1ccc(C#CCl)cc1.c1ccc(C2=Nc3ccccc3OC2)cc1>>Cc1ccc(C2=C(c3cccc(C)c3)C3(COc4ccccc4N3)c3ccccc32)cc1", + "Nc1ccccc1O>>Cc1cccc(C2=C(Cl)C3(COc4ccccc4N3)c3ccccc32)c1", + "ClC#Cc1ccccc1.c1ccc(C2=Nc3ccccc3OC2)cc1>>ClC1=C(c2ccccc2)c2ccccc2C12COc1ccccc1N2", + "C#CCCCCCC>>CCCCCCC#CCl", + "CCCCB(O)O.ClC1=C(c2ccccc2)c2ccccc2C12COc1ccccc1N2>>CCCCC1=C(c2ccccc2)c2ccccc2C12COc1ccccc1N2", + "C#CCCCCCC>>CCCCCCC1=C(Cl)C2(COc3ccc([N+](=O)[O-])cc3N2)c2ccccc21", + "Cc1ccc(O)c(N)c1>>COc1ccc(C2=C(Cl)C3(COc4ccc(C)cc4N3)c3ccccc32)cc1", + "Cc1ccc(B(O)O)cc1.Cc1cccc(C2=C(Cl)C3(COc4ccccc4N3)c3ccccc32)c1>>Cc1ccc(C2=C(c3cccc(C)c3)c3ccccc3C23COc2ccccc2N3)cc1", + "COc1ccc(O)c(N)c1>>COc1ccc2c(c1)NC1(CO2)C(Cl)=C(c2ccccc2)c2ccccc21", + "CC(C)(C)c1ccc(C#CCl)cc1.c1ccc(C2=Nc3ccccc3OC2)cc1>>CC(C)(C)c1ccc(C2=C(Cl)C3(COc4ccccc4N3)c3ccccc32)cc1", + "C#Cc1ccc(C)cc1>>Cc1ccc(C2=C(c3cccc(C)c3)C3(COc4ccccc4N3)c3ccccc32)cc1", + "Nc1ccccc1O>>c1ccc(C2=C(c3ccco3)C3(COc4ccccc4N3)c3ccccc32)cc1", + "Cc1ccc(O)c(N)c1.O=C(CBr)c1ccccc1>>Cc1ccc2c(c1)N=C(c1ccccc1)CO2", + "C#CCCCC>>CCCCC1=C(Cl)C2(COc3ccccc3N2)c2ccccc21", + "Cc1ccc(N)c(O)c1>>Cc1ccc(C2=C(Cl)C3(COc4cc(C)ccc4N3)c3ccccc32)cc1", + "CCCCCCC#CCl>>CCCCCCC1=C(CCCC)C2(COc3ccccc3N2)c2ccccc21", + "O=C(CBr)c1ccccc1>>CC1(C)OB(C2=C(c3ccccc3)c3ccccc3C23COc2ccccc2N3)OC1(C)C", + "CC(C)(C)c1ccc2c(c1)N=C(c1ccccc1)CO2.Cc1ccc(C#CCl)cc1>>Cc1ccc(C2=C(Cl)C3(COc4ccc(C(C)(C)C)cc4N3)c3ccccc32)cc1", + "COc1ccc(O)c(N)c1.O=C(CBr)c1ccccc1>>COc1ccc2c(c1)N=C(c1ccccc1)CO2", + "O=C(CBr)c1ccccc1>>COc1ccc(C2=C(Cl)C3(COc4cc(C)ccc4N3)c3ccccc32)cc1", + "C#Cc1ccc(C(C)(C)C)cc1>>CC(C)(C)c1ccc(C#CCl)cc1", + "COc1ccc(C#CCl)cc1.FC(F)(F)c1ccc(C2=Nc3ccccc3OC2)cc1>>COc1ccc(C2=C(Cl)C3(COc4ccccc4N3)c3ccc(C(F)(F)F)cc32)cc1", + "ClC#Cc1ccccc1.c1ccc2c(c1)N=C(c1ccc3ccccc3c1)CO2>>ClC1=C(c2ccccc2)c2cc3ccccc3cc2C12COc1ccccc1N2", + "COc1ccc2c(c1)N=C(c1ccccc1)CO2.ClC#Cc1ccccc1>>COc1ccc2c(c1)NC1(CO2)C(Cl)=C(c2ccccc2)c2ccccc21", + "O=C(CBr)c1ccccc1>>CCCCCCC1=C(Cl)C2(COc3ccccc3N2)c2ccccc21", + "C#Cc1ccc(C)cc1>>Cc1ccc(C#CCl)cc1", + "O=C(CBr)c1ccccc1>>COc1ccc2c(c1)NC1(CO2)C(Cl)=C(c2ccc(C)cc2)c2ccccc21", + "Nc1ccccc1O>>COc1ccc(C2=C(Cl)C3(COc4ccccc4N3)c3cc4ccccc4cc32)cc1", + "C#Cc1ccc(C)cc1>>Cc1ccc(C2=C(Cl)C3(COc4ccccc4N3)c3ccccc32)cc1", + "O=C(CBr)c1ccc2ccccc2c1>>ClC1=C(c2ccccc2)c2cc3ccccc3cc2C12COc1ccccc1N2", + "C#Cc1ccc(C)cc1.Cc1cccc(I)c1>>Cc1ccc(C2=C(c3cccc(C)c3)C3(COc4ccccc4N3)c3ccccc32)cc1.Cc1ccc(C2=C(c3cccc(C)c3)c3ccccc3C23COc2ccccc2N3)cc1", + "Cc1ccc(C#CCl)cc1.Cc1ccc2c(c1)OCC(c1ccccc1)=N2>>Cc1ccc(C2=C(Cl)C3(COc4cc(C)ccc4N3)c3ccccc32)cc1", + "C#CCCCCCC>>CCCCCCC1=C(Cl)C2(COc3ccccc3N2)c2ccccc21", + "C#Cc1cccc(C)c1>>Cc1cccc(C2=C(Cl)C3(COc4ccccc4N3)c3ccccc32)c1", + "Cc1ccc(C2=C(Cl)C3(COc4ccccc4N3)c3ccccc32)cc1.Cc1cccc(B(O)O)c1>>Cc1ccc(C2=C(c3cccc(C)c3)C3(COc4ccccc4N3)c3ccccc32)cc1", + "ClC#CC1CCCCC1.c1ccc(C2=Nc3ccccc3OC2)cc1>>ClC1=C(C2CCCCC2)c2ccccc2C12COc1ccccc1N2", + "Nc1ccccc1O.O=C(CBr)c1ccc2ccccc2c1>>c1ccc2c(c1)N=C(c1ccc3ccccc3c1)CO2", + "Nc1cc([N+](=O)[O-])ccc1O.O=C(CBr)c1ccccc1>>O=[N+]([O-])c1ccc2c(c1)N=C(c1ccccc1)CO2", + "C#Cc1ccc(C)cc1.Cc1cccc(I)c1>>Cc1ccc(C#Cc2cccc(C)c2)cc1", + "O=C(CBr)c1ccccc1>>FC(F)(F)c1ccc(C2=C(Cl)C3(COc4ccccc4N3)c3ccccc32)cc1", + "Nc1ccccc1O>>Cc1ccc(C2=C(c3cccc(C)c3)C3(COc4ccccc4N3)c3ccccc32)cc1", + "C#Cc1ccc(C)cc1>>Cc1ccc(C2=C(Cl)C3(COc4ccc(C)cc4N3)c3ccccc32)cc1", + "C#Cc1ccccc1>>COc1ccc2c(c1)NC1(CO2)C(Cl)=C(c2ccccc2)c2ccccc21", + "CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.ClC1=C(c2ccccc2)c2ccccc2C12COc1ccccc1N2>>CC1(C)OB(C2=C(c3ccccc3)c3ccccc3C23COc2ccccc2N3)OC1(C)C", + "Nc1ccccc1O>>CCCCCCC1=C(Cl)C2(COc3ccccc3N2)c2ccccc21", + "Nc1ccccc1O>>C1=C(c2ccccc2)c2ccccc2C12COc1ccccc1N2", + "C#Cc1ccccc1>>ClC1=C(c2ccccc2)c2ccccc2C12COc1ccccc1N2", + "C#Cc1cccc(C)c1>>Cc1cccc(C#CCl)c1", + "O=C(CBr)c1ccc2ccccc2c1>>COc1ccc(C2=C(Cl)C3(COc4ccccc4N3)c3cc4ccccc4cc32)cc1", + "O=C(CBr)c1ccccc1>>CC(C)(C)c1ccc(C2=C(Cl)C3(COc4ccccc4N3)c3ccccc32)cc1", + "C#CCCCC>>CCCCC#CCl", + "O=C(CBr)c1ccccc1>>Cc1cccc(C2=C(Cl)C3(COc4ccccc4N3)c3ccccc32)c1" + ], + "acs.orglett.2c03765.pdf": [ + "C=Cc1ccc(B(O)O)cc1.CC(C)(CO)CO>>C=Cc1ccc(B2OCC(C)(C)CO2)cc1", + "OB(O)c1ccc(-c2ccccc2)cc1>>c1ccc(-c2ccc(C3=C(c4ccccn4)CCCC3)cc2)cc1", + "[O-][n+]1ccccc1>>FC(F)(F)c1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "CCN(CC)C(=O)c1ccc(B2OCC(C)(C)CO2)cc1.O=C1CCCCC1c1ccccn1>>CCN(CC)C(=O)c1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "N#Cc1ccc(B(O)O)cc1>>N#Cc1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "[O-][n+]1ccccc1>>CCN(CC)C(=O)c1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "CC(C)(CO)CO.O=C(c1ccccc1)c1ccc(B(O)O)cc1>>CC1(C)COB(c2ccc(C(=O)c3ccccc3)cc2)OC1", + "O=C(c1ccccc1)c1ccc(B(O)O)cc1>>O=C(c1ccccc1)c1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "[O-][n+]1ccc2ccccc2c1>>CC(=O)c1ccc(C2=C(c3nccc4ccccc34)CCCC2)cc1", + "[O-][n+]1ccccc1>>c1ccc(C2=C(c3cccs3)CCCC2)nc1", + "CC(C)OC(=O)c1ccc(B(O)O)cc1>>CC(C)OC(=O)c1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "CCN(CC)C(=O)c1ccc(B(O)O)cc1>>CCN(CC)C(=O)c1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "CC(C)(CO)CO.Cc1ccc(B(O)O)cc1>>Cc1ccc(B2OCC(C)(C)CO2)cc1", + "CC(C)(CO)CO.OB(O)c1cccs1>>CC1(C)COB(c2cccs2)OC1", + "CC1(C)COB(c2ccccc2)OC1.Cc1cccc(C2CCCCC2=O)n1>>Cc1cccc(C2=C(c3ccccc3)CCCC2)n1", + "CC(C)(CO)CO.OB(O)c1ccccc1>>CC1(C)COB(c2ccccc2)OC1", + "CC1(C)COB(c2ccc(C(F)(F)F)cc2)OC1.O=C1CCCCC1c1ccccn1>>FC(F)(F)c1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "CC(C)(CO)CO.COC(=O)c1ccc(B(O)O)cc1>>COC(=O)c1ccc(B2OCC(C)(C)CO2)cc1", + "OB(O)c1ccccc1>>c1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "CCOC(=O)c1ccc(B(O)O)cc1>>CCOC(=O)c1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "C=Cc1ccc(B(O)O)cc1>>C=Cc1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "C1=C(N2CCOCC2)CCCC1.Cc1cccc[n+]1[O-]>>Cc1cccc(C2CCCCC2=O)n1", + "CC(C)(CO)CO.OB(O)c1ccc(C(F)(F)F)cc1>>CC1(C)COB(c2ccc(C(F)(F)F)cc2)OC1", + "[O-][n+]1ccccc1>>CC(C)OC(=O)c1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "Cc1ccc(B2OCC(C)(C)CO2)cc1.O=C1CCCCC1c1ccccn1>>Cc1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "[O-][n+]1ccccc1>>c1ccc(C2=C(c3ccc4ccccc4c3)CCCC2)nc1", + "CC1(C)COB(c2ccccc2)OC1.O=C1CCCCC1c1ccccn1>>c1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "CC(C)OC(=O)c1ccc(B2OCC(C)(C)CO2)cc1.O=C1CCCCC1c1ccccn1>>CC(C)OC(=O)c1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "C1=C(N2CCOCC2)CCC1.[O-][n+]1ccccc1>>O=C1CCCC1c1ccccn1", + "CC1(C)COB(c2ccc(C(=O)c3ccccc3)cc2)OC1.O=C1CCCCC1c1ccccn1>>O=C(c1ccccc1)c1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "CC1(C)COB(c2ccc(F)cc2)OC1.O=C1CCCCC1c1ccccn1>>Fc1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "OB(O)c1ccccc1>>Cc1cccc(C2=C(c3ccccc3)CCCC2)n1", + "O=C1CCCCC1c1ccccn1.OB(O)c1ccccc1>>c1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "CC1(C)OB(c2ccccc2)OC1(C)C.O=C1CCCCC1c1ccccn1>>c1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "Cc1cccc[n+]1[O-]>>Cc1cccc(C2=C(c3ccccc3)CCCC2)n1", + "COC(=O)c1ccc(B2OCC(C)(C)CO2)cc1.O=C1CCCCC1c1ccccn1>>COC(=O)c1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "[O-][n+]1ccccc1>>CCOC(=O)c1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "CC1(C)COB(c2cccs2)OC1.O=C1CCCCC1c1ccccn1>>c1ccc(C2=C(c3cccs3)CCCC2)nc1", + "[O-][n+]1ccccc1>>Cc1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "CC(C)(CO)CO.CCOC(=O)c1ccc(B(O)O)cc1>>CCOC(=O)c1ccc(B2OCC(C)(C)CO2)cc1", + "[O-][n+]1ccccc1>>c1ccc(C2=C(c3ccccn3)CCC2)cc1", + "COc1ccc(B2OCC(C)(C)CO2)cc1.O=C1CCCCC1c1ccccn1>>COc1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "CN(C)c1ccc(B2OCC(C)(C)CO2)cc1.O=C1CCCCC1c1ccccn1>>CN(C)c1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "O=C1CCCCC1c1ccccn1.c1ccc(B2OCCCO2)cc1>>c1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "[O-][n+]1ccccc1>>Clc1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "CC1(C)COB(c2ccc(Cl)cc2)OC1.O=C1CCCCC1c1ccccn1>>Clc1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "[O-][n+]1ccccc1>>C=Cc1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "[O-][n+]1ccccc1>>c1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "OB(O)c1ccc(F)cc1>>Fc1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "[O-][n+]1ccc2ccccc2c1>>c1ccc(C2=C(c3nccc4ccccc34)CCCC2)cc1", + "[O-][n+]1ccccc1>>CC(=O)c1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "OB(O)c1ccc(Cl)cc1>>Clc1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "CC(C)(CO)CO.OB(O)c1ccc(-c2ccccc2)cc1>>CC1(C)COB(c2ccc(-c3ccccc3)cc2)OC1", + "O=C1CCCCC1c1ccccn1.c1ccc(B2OB(c3ccccc3)OB(c3ccccc3)O2)cc1>>c1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "CC(C)(CO)CO.OB(O)c1ccc2ccccc2c1>>CC1(C)COB(c2ccc3ccccc3c2)OC1", + "[O-][n+]1ccccc1>>Fc1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "CC1(C)COB(c2ccc(C#N)cc2)OC1.O=C1CCCCC1c1ccccn1>>N#Cc1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "COc1ccc(B(O)O)cc1>>COc1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "OB(O)c1ccc2ccccc2c1>>c1ccc(C2=C(c3ccc4ccccc4c3)CCCC2)nc1", + "O=C1CCCCC1c1ccccn1.[Na+].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1>>c1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "CC(=O)c1ccc(B(O)O)cc1>>CC(=O)c1ccc(C2=C(c3nccc4ccccc34)CCCC2)cc1", + "CC(C)(CO)CO.N#Cc1ccc(B(O)O)cc1>>CC1(C)COB(c2ccc(C#N)cc2)OC1", + "CC(=O)c1ccc(B(O)O)cc1>>CC(=O)c1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "CCOC(=O)c1ccc(B2OCC(C)(C)CO2)cc1.O=C1CCCCC1c1ccccn1>>CCOC(=O)c1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "[O-][n+]1ccccc1>>N#Cc1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "CN(C)c1ccc(B(O)O)cc1>>CN(C)c1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "CC(C)(CO)CO.CCN(CC)C(=O)c1ccc(B(O)O)cc1>>CCN(CC)C(=O)c1ccc(B2OCC(C)(C)CO2)cc1", + "CC(C)(CO)CO.CC(C)OC(=O)c1ccc(B(O)O)cc1>>CC(C)OC(=O)c1ccc(B2OCC(C)(C)CO2)cc1", + "CC1(C)COB(c2ccc(-c3ccccc3)cc2)OC1.O=C1CCCCC1c1ccccn1>>c1ccc(-c2ccc(C3=C(c4ccccn4)CCCC3)cc2)cc1", + "CC(C)(CO)CO.OB(O)c1ccc(Cl)cc1>>CC1(C)COB(c2ccc(Cl)cc2)OC1", + "CC(=O)c1ccc(B2OCC(C)(C)CO2)cc1.O=C1CCCCC1c1ccccn1>>CC(=O)c1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "C=Cc1ccc(B2OCC(C)(C)CO2)cc1.O=C1CCCCC1c1ccccn1>>C=Cc1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "[O-][n+]1ccccc1>>c1ccc(-c2ccc(C3=C(c4ccccn4)CCCC3)cc2)cc1", + "[O-][n+]1ccccc1>>COc1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "COC(=O)c1ccc(B(O)O)cc1>>COC(=O)c1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "[O-][n+]1ccccc1>>COC(=O)c1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "CC1(C)COB(c2ccccc2)OC1.O=C1CCCC1c1ccccn1>>c1ccc(C2=C(c3ccccn3)CCC2)cc1", + "[O-][n+]1ccccc1>>O=C(c1ccccc1)c1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "CC(C)(CO)CO.CN(C)c1ccc(B(O)O)cc1>>CN(C)c1ccc(B2OCC(C)(C)CO2)cc1", + "O=C1CCCCC1c1ccccn1.c1ccc(B2OCCO2)cc1>>c1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "CC1(C)COB(c2ccccc2)OC1.O=C1CCCCC1c1nccc2ccccc12>>c1ccc(C2=C(c3nccc4ccccc34)CCCC2)cc1", + "CC1(C)COB(c2ccc3ccccc3c2)OC1.O=C1CCCCC1c1ccccn1>>c1ccc(C2=C(c3ccc4ccccc4c3)CCCC2)nc1", + "CC(C)(CO)CO.COc1ccc(B(O)O)cc1>>COc1ccc(B2OCC(C)(C)CO2)cc1", + "OB(O)c1ccc(C(F)(F)F)cc1>>FC(F)(F)c1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "CC(C)(CO)CO.OB(O)c1ccc(F)cc1>>CC1(C)COB(c2ccc(F)cc2)OC1", + "OB(O)c1ccccc1>>c1ccc(C2=C(c3ccccn3)CCC2)cc1", + "[O-][n+]1ccccc1>>CN(C)c1ccc(C2=C(c3ccccn3)CCCC2)cc1", + "CC(=O)c1ccc(B(O)O)cc1.CC(C)(CO)CO>>CC(=O)c1ccc(B2OCC(C)(C)CO2)cc1", + "CC(=O)c1ccc(B2OCC(C)(C)CO2)cc1.O=C1CCCCC1c1nccc2ccccc12>>CC(=O)c1ccc(C2=C(c3nccc4ccccc34)CCCC2)cc1", + "OB(O)c1ccccc1>>c1ccc(C2=C(c3nccc4ccccc34)CCCC2)cc1", + "C1=C(N2CCOCC2)CCCC1.[O-][n+]1ccccc1>>O=C1CCCCC1c1ccccn1", + "C1=C(N2CCOCC2)CCCC1.[O-][n+]1ccc2ccccc2c1>>O=C1CCCCC1c1nccc2ccccc12" + ] +} \ No newline at end of file