blc-org/A-secret-data-repo huggingface dataset:
Task: retrosynthesis
products: NCC1(O)CCCCC1
Answer: N#CC1(O)CCCCC1
Task: retrosynthesis
products: CCC1C(=O)N(C)c2cnc(-c3ccnc(NC)c3)nc2N1C1CCCC1
Answer: CCC1C(=O)N(C)c2cnc(-c3ccnc(F)c3)nc2N1C1CCCC1.CN
Task: retrosynthesis
products: CCOC(=O)C1(F)C2C(=O)CC(O[Si](C)(C)C(C)(C)C)C21
Answer: CC(C)(C)[Si](C)(C)Cl.CCOC(=O)C1(F)C2C(=O)CC(O)C21
Task: retrosynthesis
products: O=S(=O)(Nc1cccc(-c2nc(N3CCOCC3)sc2-c2ccnc(Cl)n2)c1F)C1CCCCC1
Answer: Nc1cccc(-c2nc(N3CCOCC3)sc2-c2ccnc(Cl)n2)c1F.O=S(=O)(Cl)C1CCCCC1
Task: retrosynthesis
products: CCOC(=O)c1nn(CC(=O)Nc2cccc(F)c2)cc1N
Answer: CCOC(=O)c1nn(CC(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-]
Task: retrosynthesis
products: COc1ccc(S(=O)(=O)N2C(=O)C(N)(c3ccccc3Cl)c3cc(Cl)ccc32)c(N)c1
Answer: COc1ccc(S(=O)(=O)N2C(=O)C(N)(c3ccccc3Cl)c3cc(Cl)ccc32)c([N+](=O)[O-])c1
Task: retrosynthesis
products: NC(=O)NCc1cccc(CNC(=O)C(CCCNC(N)=N[N+](=O)[O-])NC(=O)C(c2ccccc2)c2ccccc2)c1
Answer: NC(=N[N+](=O)[O-])NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)O.NCc1cccc(CNC(N)=O)c1
Task: retrosynthesis
products: CCOC(=O)Cn1ncc2c1CCCC2NS(=O)(=O)c1cccc(N)c1
Answer: CCOC(=O)Cn1ncc2c1CCCC2NS(=O)(=O)c1cccc([N+](=O)[O-])c1
Task: retrosynthesis
products: O=C(NC1CCCCC1O)c1cnc(NCc2ccccc2)c(-c2ccc(Cl)cc2)c1
Answer: NC1CCCCC1O.O=C(O)c1cnc(NCc2ccccc2)c(-c2ccc(Cl)cc2)c1
Task: retrosynthesis
products: C=CCOCCC(NC(=O)OC(C)(C)C)C(=O)O
Answer: C=CCBr.CC(C)(C)OC(=O)NC(CCO)C(=O)O
Task: retrosynthesis
products: CCOC(=O)C1CNCCN1S(=O)(=O)c1ccc(F)cc1
Answer: CCOC(=O)C1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(F)cc1
Task: retrosynthesis
products: COC(=O)C1C(OC)CCN1C(=O)OC(C)(C)C
Answer: CI.COC(=O)C1C(O)CCN1C(=O)OC(C)(C)C
Task: retrosynthesis
products: COc1ccc(-c2cc(CO)c(=O)n(Cc3ccc(Cl)cc3)c2)cc1
Answer: COC(=O)c1cc(-c2ccc(OC)cc2)cn(Cc2ccc(Cl)cc2)c1=O
Task: retrosynthesis
products: O=C(O)C1CCN(C(=O)c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)CC1
Answer: CCOC(=O)C1CCN(C(=O)c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)CC1
Task: retrosynthesis
products: CCNC(=O)N1CCC(NC(=O)c2cc3c(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)ccnc3cc2OC)CC1
Answer: CCN=C=O.COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2cc1C(=O)NC1CCNCC1
Task: retrosynthesis
products: COc1ccc(-c2cc(C(CC(C)C)Nc3ccc(C(=O)N(C)CCC(=O)O)cc3)c(C)o2)cn1
Answer: CCOC(=O)CCN(C)C(=O)c1ccc(NC(CC(C)C)c2cc(-c3ccc(OC)nc3)oc2C)cc1
Task: retrosynthesis
products: Cc1cc2c(O)cccc2n1Cc1cccc(-c2ccccc2)c1
Answer: COc1cccc2c1cc(C)n2Cc1cccc(-c2ccccc2)c1
Task: retrosynthesis
products: COC(=O)c1c(C)cccc1I
Answer: CO.Cc1cccc(I)c1C(=O)O
Task: retrosynthesis
products: OCc1cc(Cl)ccc1C(F)(F)F
Answer: O=C(O)c1cc(Cl)ccc1C(F)(F)F
Task: retrosynthesis
products: CC(=O)N1CCC(C(=O)CBr)CC1
Answer: BrBr.CC(=O)C1CCN(C(C)=O)CC1
Task: retrosynthesis
products: CCc1c(CCN2CCC(c3noc4cc(F)ccc34)CC2)sc2c1CCN(C(C)=O)C2
Answer: CCc1c(CCCl)sc2c1CCN(C(C)=O)C2.Fc1ccc2c(C3CCNCC3)noc2c1
Task: retrosynthesis
products: COc1ccc(-c2nsc(NC(=O)C3CC3C)c2C)cc1
Answer: CI.Cc1c(-c2ccc(O)cc2)nsc1NC(=O)C1CC1C
Task: retrosynthesis
products: CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC
Answer: CCN(CC)CCN.COc1cc(N)c(Cl)cc1C(=O)O
Task: retrosynthesis
products: COC(=O)c1cc(C(=O)O)ccc1-c1cc(F)ccc1F
Answer: COC(=O)c1ccc(-c2cc(F)ccc2F)c(C(=O)OC)c1
Task: retrosynthesis
products: Cc1cc(Nc2cc(-c3ccnc(-n4ncc5cc(C(C)(C)C)cc(F)c5c4=O)c3CO)cn(C)c2=O)no1
Answer: CC(=O)OCc1c(-c2cc(Nc3cc(C)on3)c(=O)n(C)c2)ccnc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O
Task: retrosynthesis
products: OCc1c(F)cccc1C1CC1
Answer: COC(=O)c1c(F)cccc1C1CC1
Task: retrosynthesis
products: CCOC(=O)C(C)(Cc1ccc(OCCNC(=O)OC(C)(C)C)cc1)Oc1ccc(C(C)C)cc1
Answer: CC(C)(C)OC(=O)NCCOS(C)(=O)=O.CCOC(=O)C(C)(Cc1ccc(O)cc1)Oc1ccc(C(C)C)cc1
Task: retrosynthesis
products: CCCCCCCCC1CCCc2[nH]c3cc(CO)ccc3c21
Answer: CCCCCCCCC1CCCc2[nH]c3cc(C(=O)OCC)ccc3c21
Task: retrosynthesis
products: O=CCc1ccc(Cl)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1
Answer: O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CCO)ccc1Cl
Task: retrosynthesis
products: O=C(Cn1nnnc1-c1cccs1)OCCO
Answer: O=C(O)Cn1nnnc1-c1cccs1.OCCO
Task: retrosynthesis
products: Nc1cccc2c1C(=O)c1ccc([N+](=O)[O-])cc1C2=O
Answer: O=C1c2cc([N+](=O)[O-])ccc2C(=O)c2c1cccc2[N+](=O)[O-]
Task: retrosynthesis
products: CC(=O)Nc1csc2c(CS(=O)c3nc4ccccc4[nH]3)nccc12
Answer: CC(=O)Nc1csc2c(CSc3nc4ccccc4[nH]3)nccc12.O=C(OO)c1cccc(Cl)c1
Task: retrosynthesis
products: Cc1cc(C)c(Nc2nc3cc([N+](=O)[O-])cc(C(=O)O)c3s2)c(C)c1
Answer: COC(=O)c1cc([N+](=O)[O-])cc2nc(Nc3c(C)cc(C)cc3C)sc12
Task: retrosynthesis
products: Oc1ccc2cc(-c3ccc(Br)cc3)sc2c1
Answer: COc1ccc2cc(-c3ccc(Br)cc3)sc2c1
Task: retrosynthesis
products: CCOC(=O)N1CCC(C)(N2CCC(=O)CC2)CC1
Answer: CCOC(=O)N1CCC(C)(N2CCC(O)CC2)CC1
Task: retrosynthesis
products: CC1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc3n2C)CCN1C
Answer: C=O.CC1NCCc2c1n(C)c1cc(-n3ccc(OCc4ccccc4)cc3=O)ccc21
Task: retrosynthesis
products: CCCCC1=CCC(N)(Nc2c(C(=O)OC3CCC(CCCC)CC3)ccc3c2C(=O)c2ccccc2C3=O)C=C1
Answer: CCCCC1=CCC(N)(Nc2c(C(=O)O)ccc3c2C(=O)c2ccccc2C3=O)C=C1.CCCCC1CCC(O)CC1
Task: retrosynthesis
products: OC1(c2cccnc2)CCNCC1
Answer: O=C(OCc1ccccc1)N1CCC(O)(c2cccnc2)CC1
Task: retrosynthesis
products: O=C(C1CC1)N1CCN(c2ncc([N+](=O)[O-])c3ccccc23)CC1
Answer: O=C(O)C1CC1.O=[N+]([O-])c1cnc(N2CCNCC2)c2ccccc12
Task: retrosynthesis
products: Cc1ccc(S(=O)(=O)OCCC(F)(F)F)cc1
Answer: Cc1ccc(S(=O)(=O)Cl)cc1.OCCC(F)(F)F
Task: retrosynthesis
products: COc1ccccc1-c1n[nH]c2ncc(-c3cc(F)c(NC4CCC(=O)CC4)c(C(=O)N(C)C)c3)cc12
Answer: COc1ccccc1-c1n[nH]c2ncc(-c3cc(F)c(NC4CCC(O)CC4)c(C(=O)N(C)C)c3)cc12
Task: retrosynthesis
products: CC(C)S(=O)(=O)c1cc(P(C)(C)=O)ccc1N
Answer: CC(C)S(=O)(=O)c1cc(P(C)(C)=O)ccc1[N+](=O)[O-]
Task: retrosynthesis
products: CC1COCCN1c1cc(CS(=O)(=O)c2ccccc2)nc(Cl)n1
Answer: CC1COCCN1.O=S(=O)(Cc1cc(Cl)nc(Cl)n1)c1ccccc1
Task: retrosynthesis
products: CS(=O)(=O)OCC1CCCC1
Answer: CS(=O)(=O)Cl.OCC1CCCC1
Task: retrosynthesis
products: N#Cc1ccc(Oc2ccc(CBr)c(Cl)c2)cc1Cl
Answer: Cc1ccc(Oc2ccc(C#N)c(Cl)c2)cc1Cl.O=C1CCC(=O)N1Br
Task: retrosynthesis
products: NC(=O)c1ccc2c(c1)-c1nc(-c3ncnn3-c3ccccc3Cl)cn1CCO2
Answer: N.O=C(O)c1ccc2c(c1)-c1nc(-c3ncnn3-c3ccccc3Cl)cn1CCO2
Task: retrosynthesis
products: CCC(=O)Nc1ccc2c(c1)c(-c1cncc(N3CCC(NC(=O)OC(C)(C)C)CC3)n1)cn2C(=O)OC(C)(C)C
Answer: CC(C)(C)OC(=O)NC1CCN(c2cncc(-c3cn(C(=O)OC(C)(C)C)c4ccc(N)cc34)n2)CC1.CCC(=O)Cl
Task: retrosynthesis
products: O=C(NCCCO)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1
Answer: NCCCO.O=C(O)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1
Task: retrosynthesis
products: O=Cc1cc(O)c(O)c(Br)c1
Answer: COc1cc(C=O)cc(Br)c1O
Task: retrosynthesis
products: CCOc1ccc(-c2nc(-c3cccc4c3CCN4C(=O)NCCC(=O)O)no2)cc1OCC
Answer: CCOC(=O)CCNC(=O)N1CCc2c(-c3noc(-c4ccc(OCC)c(OCC)c4)n3)cccc21
Task: retrosynthesis
products: NCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O
Answer: [N-]=[N+]=NCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O
Task: retrosynthesis
products: O=C(O)c1cccc(OCc2ccccc2)c1
Answer: COC(=O)c1cccc(OCc2ccccc2)c1
Task: retrosynthesis
products: CCCCCCCCCCOc1ccc(C=O)cc1
Answer: CCCCCCCCCCI.O=Cc1ccc(O)cc1
Task: retrosynthesis
products: COC(=O)Cc1ccc(OS(=O)(=O)C(F)(F)F)c(N)c1
Answer: COC(=O)Cc1ccc(OS(=O)(=O)C(F)(F)F)c([N+](=O)[O-])c1
Task: retrosynthesis
products: CN(C)C(=O)c1ccc(Nc2cc(-c3cccc(-n4ncc5cc(C(C)(C)C)cc(F)c5c4=O)c3CO)nn(C)c2=O)nc1
Answer: CC(=O)OCc1c(-c2cc(Nc3ccc(C(=O)N(C)C)cn3)c(=O)n(C)n2)cccc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O
Task: retrosynthesis
products: CNC(=O)CC1CN=C(c2cc3cc(Oc4ccc(S(C)(=O)=O)nc4)cc(OC(COC)COC)c3[nH]2)S1
Answer: COCC(COC)Oc1cc(Oc2ccc(S(C)(=O)=O)nc2)cc2cc(C3=NCC(CC(=O)O)S3)[nH]c12.C[NH3+]
Task: retrosynthesis
products: Cc1cc(-c2cccc(-c3ccc(C4CCNCC4)cc3)n2)c(C)[nH]1
Answer: Cc1cc(-c2cccc(-c3ccc(C4CCN(Cc5ccccc5)CC4)cc3)n2)c(C)[nH]1
Task: retrosynthesis
products: COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCC(CN1CCCC1)OC(C)=O
Answer: COc1cc2c(Cl)ncnc2cc1OCC(CN1CCCC1)OC(C)=O.Cc1cc2c(F)c(O)ccc2[nH]1
Task: retrosynthesis
products: COc1ccc(F)c(-c2ccc(OCc3cc(C(CC(=O)O)C4CC4)ccn3)cc2CC(C)(C)C)c1
Answer: CCOC(=O)CC(c1ccnc(COc2ccc(-c3cc(OC)ccc3F)c(CC(C)(C)C)c2)c1)C1CC1
Task: retrosynthesis
products: C=CC(=O)NCCC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccnc4)c(Cl)c3)c2c1
Answer: C=CC(=O)O.NCCC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccnc4)c(Cl)c3)c2c1
Task: retrosynthesis
products: COC(=O)Cc1cccc(Br)c1
Answer: CO.O=C(O)Cc1cccc(Br)c1
Task: retrosynthesis
products: CC(C)CN(C(=O)c1nc2ccccc2n1CCC#N)C1CC(C(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1
Answer: CC(C)CN(C(=O)c1nc2ccccc2n1CCC(N)=O)C1CC(C(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1
Task: retrosynthesis
products: O=C(COc1ccccc1)C1CCCN1C(=O)C1CCCN1C(=O)OCc1ccccc1
Answer: O=C(OCc1ccccc1)N1CCCC1C(=O)N1CCCC1C(O)COc1ccccc1
Task: retrosynthesis
products: CCOC(=O)C(CC(=O)OC(C)(C)C)=C(OCOC)C(=O)N(Cc1ccc2ccccc2c1)C(C)C(CO)Cc1ccc(C(=O)Nc2ccccc2)o1
Answer: CCOC(=O)C(CC(=O)OC(C)(C)C)=C(OCOC)C(=O)N(Cc1ccc2ccccc2c1)C(C)C(CO[Si](C)(C)C(C)(C)C)Cc1ccc(C(=O)Nc2ccccc2)o1
Task: retrosynthesis
products: CC(C)Oc1cccc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1
Answer: CC(C)Oc1cccc(N)c1.O=C([O-])Cc1nc(N2CCOCC2)cc(=O)[nH]1
Task: retrosynthesis
products: O=c1ccc2c([nH]1)CCC(NCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)C2
Answer: NCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2.O=C1CCc2[nH]c(=O)ccc2C1
Task: retrosynthesis
products: c1ccc2nc(N3CCN(CCCCn4nnc5ccccc54)CC3)cnc2c1
Answer: ClCCCCn1nnc2ccccc21.c1ccc2nc(N3CCNCC3)cnc2c1
Task: retrosynthesis
products: O=C1CCNCCN1CCCN1CCCCC1
Answer: CC(C)(C)OC(=O)N1CCC(=O)N(CCCN2CCCCC2)CC1
Task: retrosynthesis
products: CC1(C)OB(c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C#N)cc2)OC1(C)C
Answer: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.N#Cc1ccc(S(=O)(=O)N2CCc3cc(Br)ccc32)cc1
Task: retrosynthesis
products: O=C(c1cccc(F)c1)N1CCn2nc(OCc3ccccc3)cc2C1
Answer: O=C(O)c1cccc(F)c1.c1ccc(COc2cc3n(n2)CCNC3)cc1
Task: retrosynthesis
products: COc1ccc(CN2Cc3c(Oc4ccc(-c5cnc6ccccc6n5)cc4)ccnc3NC2=O)cc1
Answer: COc1ccc(CN2Cc3c(Cl)ccnc3NC2=O)cc1.Oc1ccc(-c2cnc3ccccc3n2)cc1
Task: retrosynthesis
products: Cc1c(Nc2ccc(I)cc2F)c(NS(=O)(=O)C2(CCCO)CC2)c2n(c1=O)CCO2
Answer: Cc1c(Nc2ccc(I)cc2F)c(NS(=O)(=O)C2(CCCOCc3ccccc3)CC2)c2n(c1=O)CCO2
Task: retrosynthesis
products: CNC(=O)Nc1ccc(-c2ccc(OC(C)C(O)CCc3cccnc3)cc2)cc1
Answer: CC(Oc1ccc(B(O)O)cc1)C(O)CCc1cccnc1.CNC(=O)Nc1ccc(Br)cc1
Task: retrosynthesis
products: COc1ccc(Oc2ncc(-c3cc(C(C)N)on3)s2)c(Cl)c1
Answer: COc1ccc(Oc2ncc(-c3cc(C(C)N4C(=O)c5ccccc5C4=O)on3)s2)c(Cl)c1
Task: retrosynthesis
products: COCc1ccc(-n2ncc(C(=O)O)c2C)cc1
Answer: CCOC(=O)c1cnn(-c2ccc(COC)cc2)c1C
Task: retrosynthesis
products: CC1(C)CNC(=O)c2cc3ccc(C(=O)Nc4nccs4)cc3n21
Answer: CC1(C)CNC(=O)c2cc3ccc(C(=O)O)cc3n21.Nc1nccs1
Task: retrosynthesis
products: CC(C)(O)CN1CCC(c2ccc3c(c2)-c2nn(-c4ncnn4-c4ccc(F)cc4F)cc2CCO3)CC1
Answer: CC1(C)CO1.Fc1ccc(-n2ncnc2-n2cc3c(n2)-c2cc(C4CCNCC4)ccc2OCC3)c(F)c1
Task: retrosynthesis
products: CC(C)S(=O)c1ccccc1-c1cnc(N)c(-c2nnc(-c3ccccc3)o2)n1
Answer: CC(C)Sc1ccccc1-c1cnc(N)c(-c2nnc(-c3ccccc3)o2)n1.O=C(OO)c1cccc(Cl)c1
Task: retrosynthesis
products: Cc1ccc2cccc(OCc3c(Cl)cccc3Cl)c2n1
Answer: Cc1ccc2cccc(O)c2n1.Clc1cccc(Cl)c1CBr
Task: retrosynthesis
products: Clc1ccc(-c2ccc3ccc4c(-c5ccccc5-c5ccccc5)ccc5ccc2c3c54)cc1
Answer: Clc1ccc(-c2ccc3ccc4c(Br)ccc5ccc2c3c54)cc1.OB(O)c1ccccc1-c1ccccc1
Task: retrosynthesis
products: CCCCS(=O)(=O)Nc1ccccc1
Answer: CCCCS(=O)(=O)Cl.Nc1ccccc1
Task: retrosynthesis
products: CC(C)(C)C(=O)NCCCOc1ccncc1
Answer: CC(C)(C)C(=O)Cl.NCCCOc1ccncc1
Task: retrosynthesis
products: CC(C)(C)OC(=O)NCc1cccnc1
Answer: CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.NCc1cccnc1
Task: retrosynthesis
products: Oc1ccc(CCCCn2ccnn2)cc1
Answer: c1ccc(COc2ccc(CCCCn3ccnn3)cc2)cc1
Task: retrosynthesis
products: CCCOc1ccc2c(c1)C(c1ccc(OC)cc1OCOC)C(C(=O)OC)C2c1ccc2c(c1)OCO2
Answer: CCCOc1ccc2c(c1)C(c1ccc(OC)cc1OCOC)C(C(=O)O)C2c1ccc2c(c1)OCO2.CI
Task: retrosynthesis
products: CC(C)Cn1c(CO)c(-c2cccc(F)c2)c2cc(OCc3ccccc3)ccc2c1=O
Answer: COC(=O)c1c(-c2cccc(F)c2)c2cc(OCc3ccccc3)ccc2c(=O)n1CC(C)C
Task: retrosynthesis
products: Cc1c[nH]c2ncc(-c3ccccc3)c(N3CCN(C(=O)C(CCNC(=O)OC(C)(C)C)Cc4ccc(Cl)cc4)CC3)c12
Answer: CC(C)(C)OC(=O)NCCC(Cc1ccc(Cl)cc1)C(=O)O.Cc1c[nH]c2ncc(-c3ccccc3)c(N3CCNCC3)c12
Task: retrosynthesis
products: Cc1nc(N2CCN(Cc3ccc(C(F)(F)F)cc3)C2=O)sc1C(=O)O
Answer: CCOC(=O)c1sc(N2CCN(Cc3ccc(C(F)(F)F)cc3)C2=O)nc1C
Task: retrosynthesis
products: CC(C)(C(=O)O)C1CCC(F)(F)CC1
Answer: CCOC(=O)C(C)(C)C1CCC(F)(F)CC1
Task: retrosynthesis
products: Nc1cccc(-c2ccc(N3CCN(C4CC4)CC3)nn2)c1
Answer: O=[N+]([O-])c1cccc(-c2ccc(N3CCN(C4CC4)CC3)nn2)c1
Task: retrosynthesis
products: COc1cc2nccc(Oc3cc(C)c(NC(=O)OCCN4C(=O)c5ccccc5C4=O)cc3C)c2cc1OC
Answer: COc1cc2nccc(Oc3cc(C)c(N)cc3C)c2cc1OC.O=C(OC(Cl)(Cl)Cl)OC(Cl)(Cl)Cl.O=C1c2ccccc2C(=O)N1CCO
Task: retrosynthesis
products: Nc1nc(-n2cc(C(=O)O)c(=O)c3c(N)c(F)c(N4CC(NO)C4)c(Cl)c32)c(F)cc1F
Answer: Nc1nc(-n2cc(C(=O)O)c(=O)c3c(N)c(F)c(F)c(Cl)c32)c(F)cc1F.ONC1CNC1
Task: retrosynthesis
products: NC(=O)C1CN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CCN1
Answer: Fc1ccc(N(CCCCCl)c2ccc(F)cc2)cc1.NC(=O)C1CNCCN1
Task: retrosynthesis
products: CC(C)(C)OC(=O)N1CCC(CN2CCC(c3ccncc3)CC2)CC1
Answer: CC(C)(C)OC(=O)N1CCC(C=O)CC1.c1cc(C2CCNCC2)ccn1
Task: retrosynthesis
products: Cc1cc(-c2cc(C)c(-n3c(=O)ccc4cc(S(=O)(=O)Oc5c(F)c(F)c(F)c(F)c5F)ccc43)cc2F)ccc1Cl
Answer: Cc1cc(B(O)O)ccc1Cl.Cc1cc(Br)c(F)cc1-n1c(=O)ccc2cc(S(=O)(=O)Oc3c(F)c(F)c(F)c(F)c3F)ccc21
Task: retrosynthesis
products: CC(=O)OC1CCC(CCCCCC(=O)O)CC1
Answer: CC(=O)OC(C)=O.O=C(O)CCCCCC1CCC(O)CC1
Task: retrosynthesis
products: Cc1cc(OCc2ccccc2)cc(C)c1B(O)O
Answer: CC(C)OB(OC(C)C)OC(C)C.Cc1cc(OCc2ccccc2)cc(C)c1Br
Task: retrosynthesis
products: CCCCCC(C#Cc1ccc(C(=O)O)cc1)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2(C)C
Answer: CCCCCC(C#Cc1ccc(C(=O)OC)cc1)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2(C)C
Task: retrosynthesis
products: Nc1ccc(C(CC2CCCC2)C(=O)Nc2nccs2)cc1
Answer: O=C(Nc1nccs1)C(CC1CCCC1)c1ccc([N+](=O)[O-])cc1
Task: retrosynthesis
products: CC(C)(C)OC(=O)N1CCN(C(=O)CCl)CC1
Answer: CC(C)(C)OC(=O)N1CCNCC1.O=C(Cl)CCl
Task: retrosynthesis
products: Cn1c(NC2CC(n3c(=O)n(C4CC4)c4nccnc43)C2)nc2ccccc21
Answer: Cn1c(Cl)nc2ccccc21.NC1CC(n2c(=O)n(C3CC3)c3nccnc32)C1
Task: retrosynthesis
products: CCOc1cc(Br)ccc1[N+](=O)[O-]
Answer: CCO.O=[N+]([O-])c1ccc(Br)cc1F
Task: retrosynthesis
products: CCOC(=O)C(Cc1ccc(OCCCOc2ccc(-c3ccccc3)cc2)c(Cl)c1)OC
Answer: BrCCCOc1ccc(-c2ccccc2)cc1.CCOC(=O)C(Cc1ccc(O)c(Cl)c1)OC
Task: retrosynthesis
products: CC(=O)Nc1nc(Cl)c(N)c(Cl)n1
Answer: CC(=O)Nc1nc(Cl)c([N+](=O)[O-])c(Cl)n1
Task: retrosynthesis
products: CC1(C)OB(c2ccc(N3CCOCC3=O)cc2)OC1(C)C
Answer: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.O=C1COCCN1c1ccc(Br)cc1
Task: retrosynthesis
products: Nc1cc2c(cc1[N+](=O)[O-])CCC2
Answer: CC(=O)Nc1cc2c(cc1[N+](=O)[O-])CCC2
Task: retrosynthesis
products: COc1cc2nc(N3CCC(Nc4ccc(C(=O)O)cc4)CC3)nc(OC)c2cc1OC
Answer: COc1cc2nc(N3CCC(Nc4ccc(C(=O)OC(C)(C)C)cc4)CC3)nc(OC)c2cc1OC
Task: retrosynthesis
products: Cc1c(Cl)c(OCC(=O)NCCN2CCCC2)nc2sc(C(=O)NC3CC3)c(N)c12
Answer: Cc1c(Cl)c(OCC(=O)O)nc2sc(C(=O)NC3CC3)c(N)c12.NCCN1CCCC1
Task: retrosynthesis
products: Cc1cc(O)c(C(=O)C=Cc2ccc(OC(F)(F)F)c(Cl)c2)c(=O)o1
Answer: CC(=O)c1c(O)cc(C)oc1=O.O=Cc1ccc(OC(F)(F)F)c(Cl)c1
Task: retrosynthesis
products: O=C(O)CCCc1c(O)cccc1C(=O)O
Answer: O=C(O)CCCc1c(OCc2ccccc2)cccc1C(=O)O
Task: retrosynthesis
products: Nc1ccc(Cn2ccnc2CO)cc1
Answer: O=[N+]([O-])c1ccc(Cn2ccnc2CO)cc1
Task: retrosynthesis
products: O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc2sccc12
Answer: Nc1cccc2sccc12.O=C([O-])Cc1nc(N2CCOCC2)cc(=O)[nH]1
Task: retrosynthesis
products: O=C(OCc1ccccc1)N1CCC(O)C1
Answer: O=C(Cl)OCc1ccccc1.OC1CCNC1
Task: retrosynthesis
products: CCCCc1nc(C)n(-c2ccc3c(c2)C(O)CC3)c(=O)c1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
Answer: CCCCc1nc(C)n(-c2ccc3c(c2)C(O[Si](C)(C)C(C)(C)C)CC3)c(=O)c1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
Task: retrosynthesis
products: CCN(CC)CC(O)CNC(=O)c1c(C)[nH]c(C=O)c1-c1ccccc1
Answer: CCN(CC)CC(O)CN.Cc1[nH]c(C=O)c(-c2ccccc2)c1C(=O)O
Task: retrosynthesis
products: COc1ccc(CCNC(=O)C2NC(CC(C)(C)C)C(C#N)(c3ccc(Cl)cc3)C2c2cccc(Cl)c2)cc1OC
Answer: CC(C)(C)CC1NC(C(=O)O)C(c2cccc(Cl)c2)C1(C#N)c1ccc(Cl)cc1.COc1ccc(CCN)cc1OC
Task: retrosynthesis
products: CC(CO[Si](C)(C)C(C)(C)C)Nc1ncc2c(n1)CNCC2
Answer: CC(C)(C)[Si](C)(C)Cl.CC(CO)Nc1ncc2c(n1)CNCC2
Task: retrosynthesis
products: CCC(C)(Oc1ccc(OCCCOc2cc3c(cc2Cl)C(C(F)(F)F)=CC(C)(C)O3)cc1)C(=O)OC
Answer: CC1(C)C=C(C(F)(F)F)c2cc(Cl)c(OCCCO)cc2O1.CCC(C)(Oc1ccc(O)cc1)C(=O)OC
Task: retrosynthesis
products: CC(C)(C)OC(=O)Nc1ccc2c(c1)C(=O)N(CC(=O)OC(Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC3CC3)c1)C2
Answer: CC(C)(C)OC(=O)Nc1ccc2c(c1)C(=O)N(CC(=O)O)C2.[O-][n+]1cc(Cl)c(CC(O)c2ccc(OC(F)F)c(OCC3CC3)c2)c(Cl)c1
Task: retrosynthesis
products: C=CCC(NC(=O)OCc1ccccc1)(C(=O)NCC(=O)OC)C(C)CC
Answer: C=CCC(NC(=O)OCc1ccccc1)(C(=O)O)C(C)CC.COC(=O)CN
Task: retrosynthesis
products: CCC(Oc1ccc(F)c(C(F)(F)F)c1)C(=O)NCc1ccccc1
Answer: CCC(Oc1ccc(F)c(C(F)(F)F)c1)C(=O)Cl.NCc1ccccc1
Task: retrosynthesis
products: CC(C)(C)OC(=O)N1CCCCC1CCOc1ccccc1CCCCc1ccccc1
Answer: CC(C)(C)OC(=O)N1CCCCC1CCO.Oc1ccccc1CCCCc1ccccc1
Task: retrosynthesis
products: CC(C)(C)OC(=O)N1CCN(Cc2ccc(C(=O)O)cc2Cl)CC1
Answer: COC(=O)c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1
Task: retrosynthesis
products: CNCCN1Cc2cc(F)ccc2N(c2ccccc2F)S1(=O)=O
Answer: CN.O=S1(=O)N(CCBr)Cc2cc(F)ccc2N1c1ccccc1F
Task: retrosynthesis
products: NC(=O)c1ccc(Oc2ccc3c(c2)CCCC3=O)nc1
Answer: NC(=O)c1ccc(Cl)nc1.O=C1CCCc2cc(O)ccc21
Task: retrosynthesis
products: N#Cc1cccc(S(=O)(=O)NCC2(c3nc(-c4ccccc4)cs3)CCOCC2)c1
Answer: N#Cc1cccc(S(=O)(=O)Cl)c1.NCC1(c2nc(-c3ccccc3)cs2)CCOCC1
Task: retrosynthesis
products: Cc1ccc(C#N)c(N)c1
Answer: Cc1ccc(C#N)c([N+](=O)[O-])c1
Task: retrosynthesis
products: COc1cc2nccc(Oc3ccc(NC(=O)OCCCOc4ccccc4OC)cc3)c2cc1OC
Answer: COc1cc2nccc(Oc3ccc(N)cc3)c2cc1OC.COc1ccccc1OCCCO.O=C(OC(Cl)(Cl)Cl)OC(Cl)(Cl)Cl
Task: retrosynthesis
products: COc1cc(C=CC(=O)O)ccc1OCc1nc(C)c(C)nc1C
Answer: CCOC(=O)C=Cc1ccc(OCc2nc(C)c(C)nc2C)c(OC)c1
Task: retrosynthesis
products: CNCc1ccc2c(ccn2C)c1
Answer: CN.Cn1ccc2cc(C=O)ccc21
Task: retrosynthesis
products: O=C(c1ccccc1)c1ccccc1
Answer: OC(c1ccccc1)c1ccccc1
Task: retrosynthesis
products: COCC(NC(=O)OC(C)(C)C)c1cccc(CCNc2nc(Cl)c(C)n(CC(=O)OCc3ccccc3)c2=O)c1
Answer: COCC(NC(=O)OC(C)(C)C)c1cccc(CCN)c1.Cc1c(Cl)nc(Cl)c(=O)n1CC(=O)OCc1ccccc1
Task: retrosynthesis
products: c1ccc(Cn2c(-c3ccccc3)ccc2-c2ccc3cc(OCc4nnn[nH]4)ccc3c2)cc1
Answer: N#CCOc1ccc2cc(-c3ccc(-c4ccccc4)n3Cc3ccccc3)ccc2c1.[N-]=[N+]=[N-]
Task: retrosynthesis
products: CCOC(=O)c1c(CN(CC)CC)nc2sc3c(c2c1-c1ccc(OC)c(OC)c1)CCN(C(=O)NC)C3
Answer: CCOC(=O)c1c(CN(CC)CC)nc2sc3c(c2c1-c1ccc(OC)c(OC)c1)CCNC3.CN=C=O
Task: retrosynthesis
products: CCOC(=O)C1CC2CC3(CC(C1)N2S(=O)(=O)c1ccc(Cl)cc1)OCCO3
Answer: CCOC(=O)C1CC2CC(=O)CC(C1)N2S(=O)(=O)c1ccc(Cl)cc1.OCCO
Task: retrosynthesis
products: CNc1ccc(O[Si](C)(C)C(C)(C)C)cc1
Answer: CC(C)(C)[Si](C)(C)Cl.CNc1ccc(O)cc1
Task: retrosynthesis
products: Cc1cc2cc(C)c1C(F)(F)COC(=O)Nc1ccc(C(=O)O)c(c1)CN(C)C(=O)C2Nc1ccc2c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc2c1
Answer: COC(=O)c1ccc2cc1CN(C)C(=O)C(Nc1ccc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc3c1)c1cc(C)c(c(C)c1)C(F)(F)COC(=O)N2
Task: retrosynthesis
products: O=C(O)c1cc2c([nH]1)C(CCCc1ccccc1)CC2
Answer: CCOC(=O)c1cc2c([nH]1)C(CCCc1ccccc1)CC2
Task: retrosynthesis
products: CN(C)c1ccc2c(c1)CCCN2c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1
Answer: COC(=O)c1ccc2nc(-c3ccc(F)cc3)c(N3CCCc4cc(N(C)C)ccc43)nc2c1
Task: retrosynthesis
products: Fc1ccc(OCC2CCCN(CC3(c4ccc(Cl)cc4)CCC3)C2)cc1
Answer: O=C(N1CCCC(COc2ccc(F)cc2)C1)C1(c2ccc(Cl)cc2)CCC1
Task: retrosynthesis
products: Cc1cc2nc3cn2c(c1C(OC(C)(C)C)C(=O)O)N1CCC(C)(CC1)OCCCCCOc1ccc(F)cc1CNC3=O
Answer: COC(=O)C(OC(C)(C)C)c1c(C)cc2nc3cn2c1N1CCC(C)(CC1)OCCCCCOc1ccc(F)cc1CNC3=O
Task: retrosynthesis
products: Cc1ccc(-c2ccccc2)cc1
Answer: Cc1ccc(Cl)cc1.OB(O)c1ccccc1
Task: retrosynthesis
products: COc1cncc(C#Cc2ccc(F)c(C(F)(F)F)c2)c1
Answer: C#Cc1cncc(OC)c1.Fc1ccc(I)cc1C(F)(F)F
Task: retrosynthesis
products: c1cnc(C23CNCC2CON3)cn1
Answer: CC(C)(C)OC(=O)N1CC2CONC2(c2cnccn2)C1
Task: retrosynthesis
products: Cc1cc(OCc2c(F)ccc(F)c2F)n2nc(C3CC3)c(C(=O)O)c2c1
Answer: COC(=O)c1c(C2CC2)nn2c(OCc3c(F)ccc(F)c3F)cc(C)cc12
Task: retrosynthesis
products: CC(C)N1CCN(c2ccc(Br)cc2)CC1
Answer: Brc1ccc(N2CCNCC2)cc1.CC(C)=O
Task: retrosynthesis
products: CC(C)(C)OC(=O)N1CCN(c2ccc(C=O)c(F)c2)CC1
Answer: CC(C)(C)OC(=O)N1CCNCC1.O=Cc1ccc(F)cc1F
Task: retrosynthesis
products: Cc1cccc2nc(CCc3nc(-c4cccs4)cn3CC(O)CN(C)C)nn12
Answer: CNC.Cc1cccc2nc(CCc3nc(-c4cccs4)cn3CC(O)CCl)nn12
Task: retrosynthesis
products: Oc1ccc2[nH]c3c(c2c1)CC(NCCc1ccc(F)cc1)CC3
Answer: Fc1ccc(CCNC2CCc3[nH]c4ccc(OCc5ccccc5)cc4c3C2)cc1
Task: retrosynthesis
products: O=C(O)c1cccc(NC(=O)c2nc(C3(CO)CCCCC3)[nH]c2CCC23CC4CC(CC(C4)C2)C3)c1
Answer: COCC1(c2nc(C(=O)Nc3cccc(C(=O)O)c3)c(CCC34CC5CC(CC(C5)C3)C4)[nH]2)CCCCC1
Task: retrosynthesis
products: CC(C)c1onc(-c2c(Cl)cccc2Cl)c1CCCOc1ccc(-c2ccc3nc(C(=O)O)ccc3c2)cc1
Answer: COC(=O)c1ccc2cc(-c3ccc(OCCCc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)cc3)ccc2n1
Task: retrosynthesis
products: O=[N+]([O-])c1ccccc1OCCCN1CCC(OC(c2ccccc2)c2ccccc2Cl)CC1
Answer: Clc1ccccc1C(OC1CCNCC1)c1ccccc1.O=[N+]([O-])c1ccccc1OCCCCl
Task: retrosynthesis
products: CC(C)(C)OC(C(=O)O)c1nc2ccccn2c1-c1ccc2c(c1)CCCO2
Answer: COC(=O)C(OC(C)(C)C)c1nc2ccccn2c1-c1ccc2c(c1)CCCO2
Task: retrosynthesis
products: O=Cc1csc(N2CCOCC2)n1
Answer: C1COCCN1.O=Cc1csc(Br)n1
Task: retrosynthesis
products: CC(C)CCNc1nc(-c2ccc(C(F)(F)F)cc2)cs1
Answer: CC(C)CCNC(N)=S.O=C(CBr)c1ccc(C(F)(F)F)cc1
Task: retrosynthesis
products: CCOC(=O)c1cc(F)c(F)c(OC)c1F
Answer: CCO.COc1c(F)c(F)cc(C(=O)O)c1F
Task: retrosynthesis
products: CC1COCCN1c1cc(C(C)(C)S(=O)(=O)C2CCCC2)nc(-c2ccc(NC(=O)Oc3ccccc3)cc2)n1
Answer: CC1COCCN1c1cc(C(C)(C)S(=O)(=O)C2CCCC2)nc(-c2ccc(N)cc2)n1.O=C(Cl)Oc1ccccc1
Task: retrosynthesis
products: CCC(C)Nc1cc(C(=O)OC)cc(S(=O)(=O)N(C)C)n1
Answer: CCC(C)N.COC(=O)c1cc(Cl)nc(S(=O)(=O)N(C)C)c1
Task: retrosynthesis
products: COC(=O)c1ccc(NC2CCCCC2C(F)(F)F)c(N)c1
Answer: COC(=O)c1ccc(NC2CCCCC2C(F)(F)F)c([N+](=O)[O-])c1
Task: retrosynthesis
products: O=C(CC(=O)Nc1ccc(Oc2ccnc(NC(=O)C3CC3)c2)cc1F)Nc1ccc(F)cc1
Answer: Nc1cc(Oc2ccc(NC(=O)CC(=O)Nc3ccc(F)cc3)c(F)c2)ccn1.O=C(Cl)C1CC1
Task: retrosynthesis
products: COC(=O)c1cccc(Cl)c1C
Answer: CI.Cc1c(Cl)cccc1C(=O)O
Task: retrosynthesis
products: CCC(CC)(c1ccc(C#CC2(O)CCCC2)c(C)c1)c1ccc(C(=O)NC(C)(C)C(=O)OC)c(C)c1
Answer: CCC(CC)(c1ccc(C#CC2(O)CCCC2)c(C)c1)c1ccc(C(=O)O)c(C)c1.COC(=O)C(C)(C)N
Task: retrosynthesis
products: COc1cc2c(Oc3cc4ccccc4nc3C)ccnc2cc1OCCCN
Answer: COc1cc2c(Oc3cc4ccccc4nc3C)ccnc2cc1OCCCN1C(=O)c2ccccc2C1=O
Task: retrosynthesis
products: Nc1ncnc2c1cnn2C1CCCN(C(=O)CNc2cc(Cl)cc(Cl)c2)C1
Answer: Nc1ncnc2c1cnn2C1CCCNC1.O=C(O)CNc1cc(Cl)cc(Cl)c1
Task: retrosynthesis
products: COCCOc1cccc(F)c1[N+](=O)[O-]
Answer: COCCO.O=[N+]([O-])c1c(F)cccc1F
Task: retrosynthesis
products: CC(=O)N1CCC2(CC1)CN=C(c1cc3cccc(N(C)S(=O)(=O)c4cccs4)c3[nH]1)S2
Answer: CC(=O)OC(C)=O.CN(c1cccc2cc(C3=NCC4(CCNCC4)S3)[nH]c12)S(=O)(=O)c1cccs1
Task: retrosynthesis
products: CN1CC(c2cc(Nc3cc(Br)cn(C)c3=O)n[nH]2)C1
Answer: C=O.Cn1cc(Br)cc(Nc2cc(C3CNC3)[nH]n2)c1=O
Task: retrosynthesis
products: O=C(O)c1cnc2ccc(Cl)cc2c1
Answer: CCOC(=O)c1cnc2ccc(Cl)cc2c1
Task: retrosynthesis
products: COC(=O)c1ccc(NC2CCCCC2C)c(N)c1
Answer: COC(=O)c1ccc(NC2CCCCC2C)c([N+](=O)[O-])c1
Task: retrosynthesis
products: CCc1nc2c(Cl)ccc(OCC(=O)O)c2c(OC(F)F)c1Cc1ccc(C(=O)C(C)C)cc1
Answer: CCc1nc2c(Cl)ccc(OCC(=O)OC)c2c(OC(F)F)c1Cc1ccc(C(=O)C(C)C)cc1
Task: retrosynthesis
products: COc1ccc(C=O)cc1C
Answer: CN(C)C=O.COc1ccc(Br)cc1C
Task: retrosynthesis
products: CCC(OC(=O)c1ccccc1)C(C)C1OC1CC(C)C=CC=C(C)C1OC(=O)CC(O[Si](CC)(CC)CC)CCC(C)(O)C(OC(C)=O)C=CC1C
Answer: CCC(O)C(C)C1OC1CC(C)C=CC=C(C)C1OC(=O)CC(O[Si](CC)(CC)CC)CCC(C)(O)C(OC(C)=O)C=CC1C.O=C(Cl)c1ccccc1
Task: retrosynthesis
products: O=S(=O)(Nc1cccc(CO)c1F)c1ccc(C(F)(F)F)cc1
Answer: COC(=O)c1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1F
Task: retrosynthesis
products: COC(=O)c1cc(O)c(OC)cc1[N+](=O)[O-]
Answer: CO.COc1cc([N+](=O)[O-])c(C(=O)O)cc1O
Task: retrosynthesis
products: Nc1ccc(C(=O)O)cc1Br
Answer: Nc1ccc(C(=O)O)cc1.O=C1CCC(=O)N1Br
Task: retrosynthesis
products: O=C(NC(CCCc1ccccc1)CCCc1ccccc1)C1CCCN(C(=O)CCc2cccnc2)C1
Answer: O=C(NC(CCCc1ccccc1)CCCc1ccccc1)C1CCCNC1.O=C(O)CCc1cccnc1
Task: retrosynthesis
products: O=c1c(O)c(-c2ccccc2)oc2cc(OS(=O)(=O)C(F)(F)F)cc(O)c12
Answer: O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F.O=c1c(O)c(-c2ccccc2)oc2cc(O)cc(O)c12
Task: retrosynthesis
products: O=c1cc(CCc2ccccn2)cc[nH]1
Answer: COc1cc(CCc2ccccn2)ccn1
Task: retrosynthesis
products: CC(=O)Nc1cc(C)c(C(C)=O)c(Cl)c1
Answer: CC(=O)Cl.CC(=O)Nc1cc(C)cc(Cl)c1
Task: retrosynthesis
products: CC(C)(C)[Si](C)(C)OCC(OC1CCCCO1)c1ccccc1
Answer: C1=COCCC1.CC(C)(C)[Si](C)(C)OCC(O)c1ccccc1