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stringlengths 25
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int64 0
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|---|---|
CCO.CCOC(=O)CCCc1ccc(-c2ccccc2)cc1.O.[K+].[OH-]>>O=C(O)CCCc1ccc(-c2ccccc2)cc1 | 7 |
C1CCNC1.Cc1ccc(NC(=O)c2ccnc(-c3cccs3)c2)cc1-n1ccc2ccc(OCCBr)cc2c1=O>>Cc1ccc(NC(=O)c2ccnc(-c3cccs3)c2)cc1-n1ccc2ccc(OCCN3CCCC3)cc2c1=O | 73 |
CCO.O.O=S([O-])S(=O)[O-]~[Na+]~[Na+].O=[N+]([O-])c1cc(C(F)(F)F)cc(Cl)c1O>>Nc1cc(C(F)(F)F)cc(Cl)c1O | 1 |
C1CCNC1.CC(C)(C)OC(=O)N1c2ccc(Br)cc2Sc2cc(N3CCOCC3)cc(F)c21.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1~O=C(/C=C/c1ccccc1)/C=C/c1ccccc1~[Pd].O=C([O-])[O-]~[Cs+]~[Cs+].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1>>CC(C)(C)OC(=O)N1c2ccc(N3CCCC3)cc2Sc2cc(N3CCOCC3)cc(F)c21 | 294 |
C1CCOC1~CCO.COC(=O)COc1cccc(-c2nc(NS(=O)(=O)c3ccc(C)cn3)c(Oc3ccccc3OC)c(OC)n2)c1.[BH4-]~[Na+].[Ca+2]~[Cl-]~[Cl-]>>COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2cccc(OCCO)c2)nc1OC | 343 |
C1CCOC1.CC(=O)O.CCOCC.COCCOCCOCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1.[Pt]>>COCCOCCOCCNC(=O)c1cc(N)cc(Br)c1 | 489 |
BrCCCCCCCCCCCCCCCCCCc1ccccc1.CCO.CCOCC.NCCN>>NCCNCCCCCCCCCCCCCCCCCCc1ccccc1 | 147 |
CCOC(=O)c1cc2cc(NC(C)=O)ccc2n1C(=O)OC(C)(C)C.CI.CN(C)C=O.[H-]~[Na+]>>CCOC(=O)c1cc2cc(N(C)C(C)=O)ccc2n1C(=O)OC(C)(C)C | 237 |
COc1ccc(C2=NN(C3CCNCC3)C(=O)C2(C)C)cc1OC~Cl.O=C(O)c1ccc2ncccc2c1>>COc1ccc(C2=NN(C3CCN(C(=O)c4ccc5ncccc5c4)CC3)C(=O)C2(C)C)cc1OC | 44 |
CCN(C(C)C)C(C)C.CCOC(C)=O.CNC(C)(C)CO.O=C(O)c1ccc(Br)nc1.O=C([O-])O~[Na+]>>CN(C(=O)c1ccc(Br)nc1)C(C)(C)CO | 256 |
C1CCOC1.COC(=O)C1CCN(Cc2cccc(Oc3ccccc3)c2)C1.O.[Li+]~[OH-]>>O=C(O)C1CCN(Cc2cccc(Oc3ccccc3)c2)C1 | 88 |
C1CCOC1.CCO.CCOC(=O)c1c(C)nc2c(OCc3ccccc3F)cccn12.[Na+]~[OH-]>>Cc1nc2c(OCc3ccccc3F)cccn2c1C(=O)O | 171 |
CN(C)C=O.NC(=O)c1cc(Cl)ccn1.Nc1cc(F)c(O)cc1F.[H-].[K+]>>NC(=O)c1cc(Oc2cc(F)c(N)cc2F)ccn1 | 351 |
C1CCOC1.COc1cccc(-c2c(C)sc3nc(C)cc(N)c23)c1.C[Si](C)(C)[N-][Si](C)(C)C~[Li+].O.O=S(=O)(Cl)Cc1ccccc1Cl>>COc1cccc(-c2c(C)sc3nc(C)cc(NS(=O)(=O)Cc4ccccc4Cl)c23)c1 | 194 |
C1CCOC1.COC(=O)c1cc2c(n(Cc3ccc(OC)cc3OC)c1=O)-c1cc3cc(CO)n(C)c3cc1CCC2.Cl.[Li+]~[OH-]>>COc1ccc(Cn2c3c(cc(C(=O)O)c2=O)CCCc2cc4c(cc2-3)cc(CO)n4C)c(OC)c1 | 152 |
Br~Nc1nccc2ccc(O)cc12.CC(C)(C)OC(=O)NCCCCl.CCCC[N+](CCCC)(CCCC)CCCC~[I-].CN(C)C=O.ClCCl.O=C([O-])[O-]~[K+]~[K+]>>CC(C)(C)OC(=O)NCCCOc1ccc2ccnc(N)c2c1 | 74 |
CC(C)(O)CC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)CC1.CO.[C].[Pd]>>CC(C)(O)CC1CCN(C(=O)c2cc3cc(N)ccc3[nH]2)CC1 | 1 |
CO.C[O-]~[Na+].O=[N+]([O-])c1cc(F)c(Br)cc1F>>COc1cc(Br)c(F)cc1[N+](=O)[O-] | 485 |
C1CCOC1.C=CC[C@H](C)Oc1cc(C)ccc1C(=O)OC.CCOC(C)=O.[Al+3].[Cl-].[H-].[H-].[H-].[H-].[Li+].[NH4+]>>C=CC[C@H](C)Oc1cc(C)ccc1CO | 444 |
CC(C)(C#N)N=NC(C)(C)C#N.Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1.ClC(Cl)(Cl)Cl.O=C1CCC(=O)N1Br>>CC(C)(C)c1cc(CBr)cc(C(C)(C)C)c1 | 29 |
CC(=O)Nc1ccc2c(c1)OC(c1ncccc1F)CC2.CCO.II.O.O=S(=O)([O-])[O-].[Ag+2]>>CC(=O)Nc1cc2c(cc1I)CCC(c1ncccc1F)O2 | 372 |
CCS(=O)(=O)c1cccc(C(=O)O)c1.Oc1cccc(-c2c(-c3ccccc3)cnc3c(Cl)cccc23)c1>>CCS(=O)(=O)c1cccc(C(=O)Oc2cccc(-c3c(-c4ccccc4)cnc4c(Cl)cccc34)c2)c1 | 355 |
C1CCOC1.CCOCC.Nc1c2c(nc3ccccc13)CCCC2=O.[Al+3].[Cl-].[H-].[H-].[H-].[H-].[K+].[Li+].[NH4+].[OH-]>>Nc1c2c(nc3ccccc13)CCCC2O | 449 |
C1COCCO1.CC(C)(C)OC(=O)N1CCC(c2cc3nc(Cl)ccc3o2)CC1.CS(=O)(=O)c1ccc(B(O)O)cc1.O=C([O-])[O-]~[Na+]~[Na+]>>CC(C)(C)OC(=O)N1CCC(c2cc3nc(-c4ccc(S(C)(=O)=O)cc4)ccc3o2)CC1 | 865 |
C1COCCO1.CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)N3CCN(C(=O)c4cccc(F)c4)CC3)cc2F)CC1.CO~ClCCl.Cl>>O=C(Nc1ccc(N2CCNCC2)c(F)c1)N1CCN(C(=O)c2cccc(F)c2)CC1 | 575 |
CCO.COC(=O)CNc1c(C)cc(C)cc1C.NN.O>>Cc1cc(C)c(NCC(=O)NN)c(C)c1 | 130 |
Brc1cnc2ccccc2c1.C1COCCO1.CC1(C)OB(c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)OC1(C)C.Cl[Pd]Cl~[Fe+2]~c1ccc(P(c2ccccc2)[c-]2cccc2)cc1~c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.O=C([O-])[O-]~[K+]~[K+]>>OC(COc1cccc(-c2cnc3ccccc3c2)c1)CN1CCc2ccccc2C1 | 938 |
BrCc1ccccc1.CC#N.Cc1cc(I)ccc1O.O=C([O-])[O-].[K+].[K+]>>Cc1cc(I)ccc1OCc1ccccc1 | 127 |
CCc1cc(Br)ccc1O.CI.CN(C)C=O.O=C([O-])[O-]~[K+]~[K+]>>CCc1cc(Br)ccc1OC | 62 |
CCOC(=O)C(C)(C)Oc1ccc(OCCN)cc1C.O=C(O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1>>CCOC(=O)C(C)(C)Oc1ccc(OCCNC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1C | 334 |
CC(C)(C)CCC1(NCc2ccccc2[N+](=O)[O-])C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)=C(O)c2ccccc21.CCOC(C)=O.[Pd]>>CC(C)(C)CCC1(NCc2ccccc2N)C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)=C(O)c2ccccc21 | 588 |
C1COCCO1.CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.CCOC(C)=O.COc1cc(F)ccc1-c1cc(Cl)ncc1F.Nc1cc(CO)ccn1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C([O-])[O-].[Cs+].[Cs+].[Pd].[Pd]>>COc1cc(F)ccc1-c1cc(Nc2cc(CO)ccn2)ncc1F | 606 |
CCOC(=O)CCCBr.CN(C)P(=O)(N(C)C)N(C)C.Nc1ccc2oc(-c3ccc4ccc(Cl)cc4n3)cc2c1.O=C([O-])O.[Na+]>>CCOC(=O)CCCNc1ccc2oc(-c3ccc4ccc(Cl)cc4n3)cc2c1 | 273 |
CC(C)(C)CCCCCCCl.CCC(C)=O.O=C([O-])[O-].Oc1ccc(-c2ccc(Br)cc2)cc1.[I-].[K+].[K+].[K+]>>CC(C)(C)CCCCCCOc1ccc(-c2ccc(Br)cc2)cc1 | 74 |
CC(=O)CC(C)C.CCCCCBr.O=C([O-])[O-].Oc1ccccc1O.[K+].[K+]>>CCCCCOc1ccccc1O | 75 |
CNCCNC.CS(C)=O.Cc1c2cc(Br)ccc2nn1C1CC1.N.O=C([O-])[O-]~[K+]~[K+].O=c1cc(OCc2ccc(Cl)cc2)cc[nH]1.[Cu]I>>Cc1c2cc(-n3ccc(OCc4ccc(Cl)cc4)cc3=O)ccc2nn1C1CC1 | 349 |
CC(=O)Nc1cc(C)cc(C)c1.O=C(Cl)CCl.S=C=S.[Al+3]~[Cl-]~[Cl-]~[Cl-]>>CC(=O)Nc1cc(C)c(C(=O)CCl)c(C)c1 | 31 |
N#Cc1ccc(N(Cc2ccccc2Cl)[C@H]2CCNC2)cc1Cl.O=S(=O)(Cl)Cc1ccccc1>>N#Cc1ccc(N(Cc2ccccc2Cl)[C@H]2CCN(S(=O)(=O)Cc3ccccc3)C2)cc1Cl | 584 |
CN(C)C=O.ClCc1ccccc1.O.O=[N+]([O-])c1cc(Cl)ccc1O.[H-].[Na+]>>O=[N+]([O-])c1cc(Cl)ccc1OCc1ccccc1 | 49 |
C=O.CO.COc1ccc(S(=O)(=O)n2cc(C)c3cc(F)ccc32)cc1N1CCNCC1.[BH3-]C#N.[Na+]>>COc1ccc(S(=O)(=O)n2cc(C)c3cc(F)ccc32)cc1N1CCN(C)CC1 | 217 |
CCN(C(C)C)C(C)C.CCOC(C)=O.CN(C)C(On1nnc2cccnc21)=[N+](C)C.COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(-c4ccccn4)nc4sccc34)C[C@H]1C(=O)N2.ClCCl.F[P-](F)(F)(F)(F)F.O=C(O)CC1CC1.O=C([O-])O.[Na+]>>COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](Oc3nc(-c4ccccn4)nc4sccc34)C[C@H]1C(=O)N2 | 133 |
BrCc1ccccc1.CN(C)C=O.Oc1ccc2cc(Br)ccc2c1.[Cl-].[H-].[NH4+].[Na+]>>Brc1ccc2cc(OCc3ccccc3)ccc2c1 | 127 |
CCN(CC)CC.COc1ccccc1C(c1cnc2ccccc2c1)C(C)(C#N)C(=O)O.Cl~FC(F)(F)c1cccc(C2CC[NH2+]CC2)c1.O=C(Cl)C(=O)Cl>>COc1ccccc1C(c1cnc2ccccc2c1)C(C)(C#N)C(=O)N1CCC(c2cccc(C(F)(F)F)c2)CC1 | 146 |
C1CCOC1.CCN(CC)CC.COc1c(Cl)cc(F)c(N2C(=O)c3ccccc3C2=O)c1N.O=C(Cl)c1ccc2ccccc2c1>>COc1c(Cl)cc(F)c(N2C(=O)c3ccccc3C2=O)c1NC(=O)c1ccc2ccccc2c1 | 11 |
CNC.c1ccc(CN2CCC3(CO3)C2)cc1>>CN(C)CC1(O)CCN(Cc2ccccc2)C1 | 76 |
C#Cc1ccc(OC)cc1.CCNCC.COc1ccc(I)cc1.Cl[Pd](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[Cu]I>>COc1ccc(C#Cc2ccc(OC)cc2)cc1 | 664 |
C(=NC1CCCCC1)=NC1CCCCC1.CN(C)C(=N)N(C)C.CN(C)C=O.ClCCl.O=C(NCC[NH2+]CCNC(=O)OCc1ccccc1)OCc1ccccc1.O=C(O)COCCOCCOCC(=O)O.[Cl-]>>O=C(O)COCCOCCOCC(=O)N(CCNC(=O)OCc1ccccc1)CCNC(=O)OCc1ccccc1 | 146 |
C1COCCN1.CC(=O)N(C)C.CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1.COC(=O)c1cc(Cl)nc(-c2ccc(C)cc2F)c1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C([O-])[O-].[Cs+].[Cs+].[Pd].[Pd]>>COC(=O)c1cc(-c2ccc(C)cc2F)nc(N2CCOCC2)c1 | 220 |
CC1(C)CC[C@@H](c2cc(F)cc(F)c2)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)N(COCC[Si](C)(C)C)c3ncccc32)C1=O.CI.CN(C)C=O.[H-]~[Na+]>>CN(C(=O)CN1C(=O)C(C)(C)CC[C@H]1c1cc(F)cc(F)c1)c1ccc2c(c1)C[C@@]1(C2)C(=O)N(COCC[Si](C)(C)C)c2ncccc21 | 237 |
CCOC(C)=O.CN(C)C=O.COc1ccccc1CN.O=C(Cl)c1ccc(Cl)cc1Cl.[Cl-]~[NH4+].[Na+]~[OH-].c1ccncc1>>COc1ccccc1CNC(=O)c1ccc(Cl)cc1Cl | 411 |
C1CCOC1.CO.O=[N+]([O-])c1ccc(Oc2ncnn3cc(-c4ccnc(N5CCOCC5)c4)cc23)c(F)c1.[Cl-]~[NH4+].[Zn]>>Nc1ccc(Oc2ncnn3cc(-c4ccnc(N5CCOCC5)c4)cc23)c(F)c1 | 335 |
CN1NCCc2c1cccc2C(F)(F)F.O=C(O)c1cc2ncc(Cl)cn2n1>>CN1c2cccc(C(F)(F)F)c2CCN1C(=O)c1cc2ncc(Cl)cn2n1 | 995 |
CC(C)(O)C(=O)O.Cl.O=C([O-])O~[Na+].OCc1ccccc1>>CC(C)(O)C(=O)OCc1ccccc1 | 17 |
Cc1cc(-c2cccc(C(=O)CC(=O)Nc3cc(C(F)(F)F)c(N(C)C(C)C)cc3NC(=O)OC(C)(C)C)c2)ccn1.ClCCl.O=C(O)C(F)(F)F>>Cc1cc(-c2cccc(C3=Nc4cc(N(C)C(C)C)c(C(F)(F)F)cc4NC(=O)C3)c2)ccn1 | 930 |
CC(C)(C)OC(=O)Nc1ccc(-c2ccoc2)cc1NC(=O)CC(=O)c1cccc(C#N)c1.ClCCl.O=C(O)C(F)(F)F>>N#Cc1cccc(C2=Nc3ccc(-c4ccoc4)cc3NC(=O)C2)c1 | 930 |
CC(=O)Oc1ccccc1C(=O)Nc1ccc(C(=O)O)c(N)c1.COc1ccccc1C(=O)Cl>>COc1ccccc1C(=O)Nc1cc(NC(=O)c2ccccc2OC(C)=O)ccc1C(=O)O | 11 |
CC(=O)c1ccc(O)cc1O~CC(=O)c1ccccc1.ClCc1ccccc1.O=C([O-])[O-]~[K+]~[K+]>>CC(=O)c1ccc(OCc2ccccc2)cc1O | 49 |
CO.O=C(O)c1cccc2cc(O)ccc12.O=S(=O)(O)O.[Na+]~[OH-]>>COC(=O)c1cccc2cc(O)ccc12 | 33 |
CCI.CCOC(C)=O.CN(C)C=O.Nc1c(C(=O)c2ccccc2O)oc2ccc(Cl)cc12.O=C([O-])[O-].[K+].[K+]>>CCOc1ccccc1C(=O)c1oc2ccc(Cl)cc2c1N | 198 |
C1CCOC1.CCO.CCOC(=O)c1[nH]c2cccc3c2c1CCC3=O.[BH4-]~[Na+].[Cl-]~[Na+]>>CCOC(=O)c1[nH]c2cccc3c2c1CCC3O | 24 |
CC(=O)O[BH-](OC(C)=O)OC(C)=O.CCCN.CO.ClCCCl.O=Cc1cc(-c2ccccc2CCNS(=O)(=O)c2ccccc2)ccc1[N+](=O)[O-].[Na+]>>CCCNCc1cc(-c2ccccc2CCNS(=O)(=O)c2ccccc2)ccc1[N+](=O)[O-] | 468 |
C=CCOC(=O)NC(Cc1cc(C2CCCN2)no1)C(=O)OCC~Cl.CCN(CC)CC.CN(C)C=O.O.O=C(O)Cc1ccc([N+](=O)[O-])cc1.O~Oc1cccc2[nH]nnc12>>C=CCOC(=O)NC(Cc1cc(C2CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)no1)C(=O)OCC | 146 |
C=C(C)CCl.CC(C)=O.COC(=O)C1(c2cc(I)c(O)c(I)c2)CC1.O=C([O-])[O-].[I-].[K+].[K+].[Na+]>>C=C(C)COc1c(I)cc(C2(C(=O)OC)CC2)cc1I | 119 |
CCO.O=Cc1c(Cl)[nH]c2ccccc12.O=S(=O)(Cl)c1ccccc1.[Na+]~[OH-]>>O=Cc1c(Cl)n(S(=O)(=O)c2ccccc2)c2ccccc12 | 648 |
CCO.CCOC(=O)c1cnn(-c2ccc(F)cc2)c1N.O.[Li+]~[OH-]>>Nc1c(C(=O)O)cnn1-c1ccc(F)cc1 | 171 |
CCN=C=NCCCN(C)C.CN(C)C=O.CN1CCNCC1.O.O=C(O)c1ccc2[nH]ccc2c1.O~On1nnc2ccccc21>>CN1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1 | 44 |
BrP(Br)Br.CC(C)(C)c1cc(C=CC(=O)O)cc(C(C)(C)C)c1O.CCOC(=O)Cc1ccc(CCN2CCNCC2)cc1~Cl~Cl.Cl.c1ccncc1>>CCOC(=O)Cc1ccc(CCN2CCN(C(=O)C=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)cc1 | 517 |
CN1C(=O)C(C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)C(=O)N(C)C1=O.CO.C[O-]~[Na+].O>>COc1ccc(Oc2ccc(NC(=O)C3C(=O)N(C)C(=O)N(C)C3=O)cc2)nn1 | 407 |
CCC(=C(c1ccc(O)cc1)c1ccc(OCCCl)cc1)c1ccc2oc(Cl)cc2c1.CNC.CO>>CCC(=C(c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccc2oc(Cl)cc2c1 | 138 |
O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(Cl)c(Br)c1.OCC1CNC1>>O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC(CO)C2)c(Br)c1 | 220 |
CO.Cc1cc2c(cc1Sc1nc3c(N)nccc3n1CCN1C(=O)c3ccccc3C1=O)OCO2.ClCCl.NN.O>>Cc1cc2c(cc1Sc1nc3c(N)nccc3n1CCN)OCO2 | 242 |
CCO.CCOC(=O)Cc1ccc(OCc2ccc3ccccc3n2)cc1.O.[K+].[OH-]>>O=C(O)Cc1ccc(OCc2ccc3ccccc3n2)cc1 | 7 |
CCOP(=O)(CN)OCC.O=[N+]([O-])c1ccc(F)cc1F>>CCOP(=O)(CNc1cc(F)ccc1[N+](=O)[O-])OCC | 572 |
CC(=O)O.COCOc1ccc(-c2nc3cc(OC)cc(OC)c3c(=O)[nH]2)cc1CCO.O.O=S(=O)(O)O>>COc1cc(OC)c2c(=O)[nH]c(-c3ccc(O)c(CCO)c3)nc2c1 | 755 |
C1COCCO1.O=S(=O)(Cl)c1ccc(Br)cc1OC(F)(F)F.[NH4+].[OH-]>>NS(=O)(=O)c1ccc(Br)cc1OC(F)(F)F | 245 |
BrP(Br)Br.Cc1ccc([N+](=O)[O-])c(CO)c1.ClCCl.O=C([O-])O~[Na+]>>Cc1ccc([N+](=O)[O-])c(CBr)c1 | 300 |
CS(=O)(=O)Cl.ClCCl.OCc1cc(-c2cnc(C(F)(F)F)nc2)nc(C(F)(F)F)c1>>CS(=O)(=O)OCc1cc(-c2cnc(C(F)(F)F)nc2)nc(C(F)(F)F)c1 | 0 |
CO.COCOc1ccc(C(=C(c2ccccc2)C(F)(F)F)c2ccc(OCCN3CCOCC3)cc2)cc1.Cl.[Na+]~[OH-]>>Oc1ccc(C(=C(c2ccccc2)C(F)(F)F)c2ccc(OCCN3CCOCC3)cc2)cc1 | 755 |
COc1cnc(CO)cn1.ClC(Cl)Cl.O=[Mn]=O>>COc1cnc(C=O)cn1 | 287 |
CCO.CCOC(C)=O.COc1cc([N+](=O)[O-])ccc1-c1nnc(-c2c(-c3ccccc3)noc2C)o1.Cl.O=C([O-])[O-].[Fe].[Na+].[Na+]>>COc1cc(N)ccc1-c1nnc(-c2c(-c3ccccc3)noc2C)o1 | 1 |
CCO.COc1cc(N)c(Cl)cc1C(=O)O.Cl.[Na+].[OH-]>>CCOC(=O)c1cc(Cl)c(N)cc1OC | 33 |
CC(C)(C)OC(=O)N1CCc2ccc(Oc3ccc(I)cc3F)cc2CC1.c1ccc(COc2ccc3c(c2)CCNCC3)cc1>>Fc1cc(I)ccc1Oc1ccc2c(c1)CCNCC2 | 575 |
C1COCCN1.O=C(CNS(=O)(=O)c1ccc2ccccc2c1)NC(CNC(=O)C1CCN(c2ccncc2)CC1)C(=O)O>>O=C(CNS(=O)(=O)c1ccc2ccccc2c1)NC(CNC(=O)C1CCN(c2ccncc2)CC1)C(=O)N1CCOCC1 | 146 |
CCOC(=O)CNc1ccc(C(=O)c2c(-c3ccccc3)c(OC)c3ccccn23)cc1OC.COc1cc(C(=O)c2c(C)c(OC)c3ccccn23)ccc1NCC(=O)O.[Na+].[OH-]>>COc1cc(C(=O)c2c(-c3ccccc3)c(OC)c3ccccn23)ccc1NCC(=O)O | 7 |
CC(=O)[O-].CC(=O)[O-].CCCCc1nc(C2CC2)[nH]c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1.CCN(CC)CC.CCOC(C)=O.ClCCl.OB(O)c1ccc2c(c1)CCO2.[Cu+2].c1ccncc1>>CCCCc1nc(C2CC2)n(-c2ccc3c(c2)CCO3)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1 | 962 |
C=C(C)CCl.CC(=O)Oc1c(C(C)(C)C)cc(O)cc1C(C)(C)C.CN(C)C=O.[Cl-]~[NH4+].[H-]~[Na+]>>C=C(C)COc1cc(C(C)(C)C)c(OC(C)=O)c(C(C)(C)C)c1 | 119 |
CCOC(=O)C(C)=NNc1ccc(O)cc1[N+](=O)[O-].CN(C)C=O.COCCCBr.O.O=C([O-])[O-]~[K+]~[K+]>>CCOC(=O)C(C)=NNc1ccc(OCCCOC)cc1[N+](=O)[O-] | 75 |
CCN(CC)CC.CCOC(C)=O.CCOP(=O)(C#N)OCC.CN(C)C=O.COC(=O)CCCN.COc1cccc([C@H]2O[C@H](CC(=O)O)C(=O)N(CC(C)(C)CO)c3ccc(Cl)cc32)c1OC.Cl>>COC(=O)CCCNC(=O)C[C@H]1O[C@H](c2cccc(OC)c2OC)c2cc(Cl)ccc2N(CC(C)(C)CO)C1=O | 230 |
CC(=O)O.CO.COC(=O)[C@H]1CCCC[C@H]1N.O=Cc1ccc(F)cc1.[BH3-]C#N~[Na+]>>COC(=O)[C@H]1CCCC[C@H]1NCc1ccc(F)cc1 | 468 |
CCCCO.CCN(C(C)C)C(C)C.CC[C@H](N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1C.Cc1nnc(-c2c(N)ncnc2Cl)o1>>CC[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1C | 110 |
CC(C)c1c[nH]c2ccc(O)cc12.CCOC(C)=O.CS(C)=O.Cc1cc([N+](=O)[O-])cc(C)c1F.O.O=C([O-])[O-]~[K+]~[K+]>>Cc1cc([N+](=O)[O-])cc(C)c1Oc1ccc2[nH]cc(C(C)C)c2c1 | 564 |
CN(C)C=O.COc1c(O)cccc1C=O.Cc1ccc(C#N)c(Cl)n1.[F-]~[K+].[Na+]~[OH-]>>COc1c(C=O)cccc1Oc1nc(C)ccc1C#N | 516 |
BrCc1ccccc1.CN(C)C=O.O.O=C([O-])[O-]~[K+]~[K+].O=Cc1cc(F)ccc1O>>O=Cc1cc(F)ccc1OCc1ccccc1 | 127 |
C1CCOC1.FC(F)(F)OCCN1CCN(Cc2ccccc2)CC1.[OH-].[OH-].[Pd+2]>>FC(F)(F)OCCN1CCNCC1 | 84 |
CCOC(=O)/C=C(\c1ccc(CC)cc1)n1cnc2ccccc21.Cl>>CCc1ccc(/C(=C\C(=O)O)n2cnc3ccccc32)cc1 | 122 |
CCC(C)=O.CCOC(=O)CCCBr.CCOC(=O)c1ccc([Se]c2cc3c(cc2O)C(C)(C)CCC3(C)C)cc1.O=C([O-])[O-]~[K+]~[K+]>>CCOC(=O)CCCOc1cc2c(cc1[Se]c1ccc(C(=O)OCC)cc1)C(C)(C)CCC2(C)C | 75 |
CC(C)(C)OC(=O)NC1CCNCC1.CS(C)=O.N#Cc1cc(F)cc(F)c1.O.O=C([O-])[O-]~[K+]~[K+]>>CC(C)(C)OC(=O)NC1CCN(c2cc(F)cc(C#N)c2)CC1 | 26 |
CC#N.CC(C)N.CCOC(=O)c1ccc(C)c(-c2ccc3c(Cl)nncc3c2)c1.ClCCl>>CCOC(=O)c1ccc(C)c(-c2ccc3c(NC(C)C)nncc3c2)c1 | 241 |
O=Cc1ccc2cc(-c3csc(-c4ccncc4)n3)c(=O)[nH]c2c1.OC1CCNCC1>>O=c1[nH]c2cc(CN3CCC(O)CC3)ccc2cc1-c1csc(-c2ccncc2)n1 | 567 |
CC(=O)OCCOc1ccc(CN2C(=O)c3ccccc3C2=O)nc1[N+](=O)[O-].CCO.CCOC(C)=O.NN~O>>CC(=O)OCCOc1ccc(CN)nc1[N+](=O)[O-] | 242 |
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