blc-org/A-secret-data-repo huggingface dataset:
Task: retrosynthesis
products: COc1c(N)ccc2c1CCCC(N1CCOCC1)C2
Answer: COc1c([N+](=O)[O-])ccc2c1CCCC(N1CCOCC1)C2
Task: retrosynthesis
products: CCCn1c(COC)nc2c(N)nc3ccc(OCCN4CCCCC4)cc3c21
Answer: CCCn1c(COC)nc2c(N)nc3ccc(O)cc3c21.ClCCN1CCCCC1
Task: retrosynthesis
products: COc1ccc(C#N)cc1S(=O)(=O)NCCc1ccc(-c2ccccc2S(C)(=O)=O)cc1O
Answer: COCOc1cc(-c2ccccc2S(C)(=O)=O)ccc1CCNS(=O)(=O)c1cc(C#N)ccc1OC
Task: retrosynthesis
products: CCCCCNC(=O)c1cnc2cccc(C)n2c1=O
Answer: CCCCCN.Cc1cccc2ncc(C(=O)O)c(=O)n12
Task: retrosynthesis
products: COCC(=O)Nc1cc(Br)ccn1
Answer: COCC(=O)Cl.Nc1cc(Br)ccn1
Task: retrosynthesis
products: CCCCCNC(=O)c1cc2nc(Nc3c(Cl)cccc3Cl)[nH]c2c2c1OC(C)(C)C2
Answer: CC1(C)Cc2c(c(C(=O)O)cc3nc(Nc4c(Cl)cccc4Cl)[nH]c23)O1.CCCCCN
Task: retrosynthesis
products: O=C(CCCCBr)NCCCCCO
Answer: NCCCCCO.O=C(Cl)CCCCBr
Task: retrosynthesis
products: O=C(O)CNC(=O)c1c(O)c2ccccc2n(OCc2nc3ccccc3s2)c1=O
Answer: CC(C)(C)OC(=O)CNC(=O)c1c(O)c2ccccc2n(OCc2nc3ccccc3s2)c1=O
Task: retrosynthesis
products: COc1cc(C)c(C(CCCCl)C(=O)O)cc1C(C)C
Answer: COC(=O)C(CCCCl)c1cc(C(C)C)c(OC)cc1C
Task: retrosynthesis
products: CCCCCCCC(=O)N1CCCC1C(=O)O
Answer: CCCCCCCC(=O)N1CCCC1C(=O)OCc1ccccc1
Task: retrosynthesis
products: Cc1oc(-c2ccccc2)nc1COc1ccc(COc2ccc(-c3ccccc3)cc2CC(=O)O)cc1
Answer: COC(=O)Cc1cc(-c2ccccc2)ccc1OCc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1
Task: retrosynthesis
products: COc1ccc(CN(c2nc(Nc3cc(C#N)cc(C(C)C=O)c3Cl)nn3c(C#N)cnc23)C2CC2)cc1
Answer: COc1ccc(CN(c2nc(Nc3cc(C#N)cc(C(C)CO)c3Cl)nn3c(C#N)cnc23)C2CC2)cc1
Task: retrosynthesis
products: COCCOc1ccc(O)c(C(C)=O)c1
Answer: CC(=O)c1cc(O)ccc1O.COCCBr
Task: retrosynthesis
products: CCCCCCCc1ccc(CCCn2c(C)ccc2-c2ccc(OC(Cc3ccccc3)C(=O)O)cc2)cc1
Answer: CCCCCCCc1ccc(CCCn2c(C)ccc2-c2ccc(OC(Cc3ccccc3)C(=O)OCC)cc2)cc1
Task: retrosynthesis
products: CC(C)NC(=O)C1CCN(c2cc(NC(=O)c3ccc(C(C)(C)O)cc3)nc3ccnn23)CC1
Answer: CC(C)(O)c1ccc(C(=O)Nc2cc(N3CCC(C(=O)O)CC3)n3nccc3n2)cc1.CC(C)N
Task: retrosynthesis
products: CCCCc1nc(C)n(Cc2c(F)cccc2F)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1
Answer: CCCCc1nc(C)[nH]c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1.Fc1cccc(F)c1CBr
Task: retrosynthesis
products: COCOc1c(C)cc(Oc2ccc([N+](=O)[O-])c(N(C)C(=O)OC(C)(C)C)c2)c(C)c1C
Answer: CN(C(=O)OC(C)(C)C)c1cc(Cl)ccc1[N+](=O)[O-].COCOc1c(C)cc(O)c(C)c1C
Task: retrosynthesis
products: COc1ccc(S(=O)(=O)NCC2CCN(CC3COc4ccc(Cl)cc4O3)CC2)cc1
Answer: COc1ccc(S(=O)(=O)Cl)cc1.NCC1CCN(CC2COc3ccc(Cl)cc3O2)CC1
Task: retrosynthesis
products: COc1ccc(-c2oc3ccc(CC(=O)N4CCN(c5ccccc5)CC4)cc3c2SC)cc1OC
Answer: COc1ccc(-c2oc3ccc(CC(=O)O)cc3c2SC)cc1OC.c1ccc(N2CCNCC2)cc1
Task: retrosynthesis
products: NCc1ccc(CN2CCCCC2)nc1
Answer: CC(C)(C)OC(=O)NCc1ccc(CN2CCCCC2)nc1
Task: retrosynthesis
products: CNC(=O)CC1COc2ccccc2N1C(=O)c1ccc2c(c1)NC(=O)CO2
Answer: CCOC(=O)CC1COc2ccccc2N1C(=O)c1ccc2c(c1)NC(=O)CO2.CN
Task: retrosynthesis
products: CCCCC12CCC(=O)C(C(F)(F)F)=C1c1cc(F)c(N)c(F)c1C2
Answer: CCCCC12CCC(=O)C(C(F)(F)F)=C1c1cc(F)c(NC(C)=O)c(F)c1C2
Task: retrosynthesis
products: CC(=O)Nc1cccc(-c2ccc(C3CC(C(O)(C(F)(F)F)C(F)(F)F)=NN3c3ccccc3Cl)cc2)c1
Answer: CC(=O)Cl.Nc1cccc(-c2ccc(C3CC(C(O)(C(F)(F)F)C(F)(F)F)=NN3c3ccccc3Cl)cc2)c1
Task: retrosynthesis
products: CC(C)COc1cc(-c2ccc(CCN(CC(O)c3cccnc3)C(=O)OC(C)(C)C)cc2)ccc1C(=O)O
Answer: COC(=O)c1ccc(-c2ccc(CCN(CC(O)c3cccnc3)C(=O)OC(C)(C)C)cc2)cc1OCC(C)C
Task: retrosynthesis
products: Cc1nc(C(C)(CS(C)(=O)=O)NC(=O)c2cc(OCC(F)(F)F)c(C3CCC3)cn2)no1
Answer: Cc1nc(C(C)(N)CS(C)(=O)=O)no1.O=C(O)c1cc(OCC(F)(F)F)c(C2CCC2)cn1
Task: retrosynthesis
products: CCOC(=O)CCCOc1cccc2c1c(CC(N)=O)c(C)n2Cc1ccccc1
Answer: CCOC(=O)CCCBr.Cc1c(CC(N)=O)c2c(O)cccc2n1Cc1ccccc1
Task: retrosynthesis
products: CC(C1CCC1)N1CCc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C(N)=O)C1
Answer: CC(=O)C1CCC1.NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCNC2
Task: retrosynthesis
products: CNS(=O)(=O)c1cc(N)c(N(C)C)cc1F
Answer: CNS(=O)(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F
Task: retrosynthesis
products: CC(C)(C)[Si](C)(C)Oc1cc([N+](=O)[O-])ccc1N
Answer: CC(C)(C)[Si](C)(C)Cl.Nc1ccc([N+](=O)[O-])cc1O
Task: retrosynthesis
products: CCC(=O)Nc1ccc(NC(=O)OCC(Cl)(Cl)Cl)cc1
Answer: CCC(=O)Nc1ccc(N)cc1.O=C(Cl)OCC(Cl)(Cl)Cl
Task: retrosynthesis
products: O=C(NC1CCN(Cc2ccncc2)CC1)c1cccc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1
Answer: O=C(NC1CCN(Cc2ccncc2)CC1)c1cccc(Cl)n1.OC1CCN(c2ccc(C(F)(F)F)cc2)CC1
Task: retrosynthesis
products: CCC(C)C(=O)OC1CC(O)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)O)C21
Answer: CCC(C)C(=O)OC1CC(O)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)[O-])C21
Task: retrosynthesis
products: CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
Answer: CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.O=[N+]([O-])c1ccc(N2CCNCC2)cc1
Task: retrosynthesis
products: CC1CN(c2c(C=O)nc3c(-c4ccccn4)noc3c2Cl)CC(C)O1
Answer: CC1CN(c2c(CO)nc3c(-c4ccccn4)noc3c2Cl)CC(C)O1
Task: retrosynthesis
products: Cc1cnc(Nc2ccc(OC3CCNCC3)cc2)nc1CCc1ccccc1CC(N)=O
Answer: Cc1cnc(Nc2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)nc1CCc1ccccc1CC(N)=O
Task: retrosynthesis
products: Cc1ccc(S(=O)(=O)n2cc(C=O)c3cc(Br)cnc32)cc1
Answer: Cc1ccc(S(=O)(=O)Cl)cc1.O=Cc1c[nH]c2ncc(Br)cc12
Task: retrosynthesis
products: COC(=O)C1C(C=C(C)C)C1(C)C
Answer: CC(C)=CC1C(C(=O)Cl)C1(C)C.CO
Task: retrosynthesis
products: CC(C)(C)OC(=O)N1CCN(c2ccc(N)nc2)C(=O)C1
Answer: CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)C(=O)C1
Task: retrosynthesis
products: O=Cc1ccc(-c2c3ccccc3cc3ccccc23)cc1
Answer: Brc1c2ccccc2cc2ccccc12.O=Cc1ccc(B(O)O)cc1
Task: retrosynthesis
products: COCCOc1ccc(C(=O)O)cc1
Answer: COCCCl.O=C(O)c1ccc(O)cc1
Task: retrosynthesis
products: COc1cc(F)cc(F)c1CO
Answer: COC(=O)c1c(F)cc(F)cc1OC
Task: retrosynthesis
products: COC(=O)COc1ccc(-c2ccc(N)cc2)cc1
Answer: COC(=O)COc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1
Task: retrosynthesis
products: O=C(Cn1c(-c2ccc(Br)cc2)nc2cccnc21)Nc1ccccn1
Answer: Nc1ccccn1.O=C(O)Cn1c(-c2ccc(Br)cc2)nc2cccnc21
Task: retrosynthesis
products: COC(=O)c1ccc(CN(CCc2ccccc2OCc2ccc(Br)cc2)C(=O)OC(C)(C)C)cc1
Answer: BrCc1ccc(Br)cc1.COC(=O)c1ccc(CN(CCc2ccccc2O)C(=O)OC(C)(C)C)cc1
Task: retrosynthesis
products: CC(C)(C#N)c1cccc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)CN5CCOCC5)sc4n3)c(Cl)cc2F)c1
Answer: C1COCCN1.CC(C)(C#N)c1cccc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)CCl)sc4n3)c(Cl)cc2F)c1
Task: retrosynthesis
products: CCC=C(C(=O)O)c1ccc(S(C)(=O)=O)cc1
Answer: CCC=C(C(=O)OC)c1ccc(S(C)(=O)=O)cc1
Task: retrosynthesis
products: CCOC(=O)CCN(C)C(=O)OC(C)(C)C
Answer: CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCOC(=O)CCNC
Task: retrosynthesis
products: CCOC(=O)c1cn(CCF)c2c(F)c(C(C)=O)c(F)cc2c1=O
Answer: CCOC(=O)c1c[nH]c2c(F)c(C(C)=O)c(F)cc2c1=O.FCCBr
Task: retrosynthesis
products: CN(CCO)c1cc(=O)[nH]c(=O)[nH]1
Answer: CNCCO.O=c1cc(Cl)[nH]c(=O)[nH]1
Task: retrosynthesis
products: O=C(O)COc1cccc2c1CCCC2NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)c(Cl)c1
Answer: CC(C)(C)OC(=O)COc1cccc2c1CCCC2NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)c(Cl)c1
Task: retrosynthesis
products: Cc1c(O)c(C(C)(C)C)cc2c1CC(C)(C)O2
Answer: CC(=O)Oc1c(C(C)(C)C)cc2c(c1C)CC(C)(C)O2
Task: retrosynthesis
products: CNCc1cccc([N+](=O)[O-])c1
Answer: CN.O=Cc1cccc([N+](=O)[O-])c1
Task: retrosynthesis
products: CCn1cc(C)c2ccc(OC)cc21
Answer: CCBr.COc1ccc2c(C)c[nH]c2c1
Task: retrosynthesis
products: O=Cc1ccc(OCCN2CCOCC2)cc1
Answer: ClCCN1CCOCC1.O=Cc1ccc(O)cc1
Task: retrosynthesis
products: CCn1c(C2CC2)nc2ccc(-n3ccc(OCc4ccc(Cl)cc4)cc3=O)cc21
Answer: CCn1c(C2CC2)nc2ccc(Br)cc21.O=c1cc(OCc2ccc(Cl)cc2)cc[nH]1
Task: retrosynthesis
products: Cc1nnnn1-c1ccc(C(=CC2CCCC2)C(=O)O)cc1S(C)(=O)=O
Answer: COC(=O)C(=CC1CCCC1)c1ccc(-n2nnnc2C)c(S(C)(=O)=O)c1
Task: retrosynthesis
products: CC(C)(C)OC(=O)NCc1ccnc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c1
Answer: CC(C)(C)OC(=O)NCc1ccnc(C(=O)O)c1.Clc1ccc(OC2CCNCC2)cc1
Task: retrosynthesis
products: Cc1cn(-c2cc(Oc3ccc(N)nc3C)ccn2)cn1
Answer: Cc1cn(-c2cc(Oc3ccc([N+](=O)[O-])nc3C)ccn2)cn1
Task: retrosynthesis
products: CC(=O)c1cc(OCCCCCCc2cccc(OCCCC(=O)O)c2CCC(=O)O)cc(-c2cccc(F)c2)c1
Answer: CCOC(=O)CCCOc1cccc(CCCCCCOc2cc(C(C)=O)cc(-c3cccc(F)c3)c2)c1CCC(=O)OCC
Task: retrosynthesis
products: Cc1ccc(S(=O)(=O)Oc2cc(C)ccc2N)cc1
Answer: Cc1ccc(N)c(O)c1.Cc1ccc(S(=O)(=O)Cl)cc1
Task: retrosynthesis
products: CC(=NOCCOc1ccc(CC2SC(=O)N(C(c3ccccc3)(c3ccccc3)c3ccccc3)C2=O)cc1)c1cn(C)c(-c2ccccc2)n1
Answer: CC(=NOCCO)c1cn(C)c(-c2ccccc2)n1.O=C1SC(Cc2ccc(O)cc2)C(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1
Task: retrosynthesis
products: CC(Oc1ccc(Cl)cc1Cl)C(=O)Cl
Answer: CC(Oc1ccc(Cl)cc1Cl)C(=O)O.O=S(Cl)Cl
Task: retrosynthesis
products: O=C(CCCN1CCC(NC(=O)c2ccccc2)CC1)c1ccc(Br)cc1
Answer: O=C(CCCCl)c1ccc(Br)cc1.O=C(NC1CCNCC1)c1ccccc1
Task: retrosynthesis
products: COc1cc(Cc2nc3cc(F)ccc3c3nc(N)nn23)ccc1O
Answer: COc1cc(Cc2nc3cc(F)ccc3c3nc(N)nn23)ccc1OCc1ccccc1
Task: retrosynthesis
products: CCc1ccc(C(=O)Cn2c(=O)c3cc(CC)sc3n(Cc3ccc(-c4ccccc4-c4noc(=O)[nH]4)cc3)c2=O)cc1
Answer: CCc1ccc(C(=O)Cn2c(=O)c3cc(CC)sc3n(Cc3ccc(-c4ccccc4C#N)cc3)c2=O)cc1.O=C([O-])O.[NH3+]O
Task: retrosynthesis
products: O=C(O)c1cc2c(s1)C1CCC2C1
Answer: CCOC(=O)c1cc2c(s1)C1CCC2C1
Task: retrosynthesis
products: CCc1[nH]c(C(=O)NC2CC=C(c3cccc(C(=O)O)c3)CC2)nc1Cl
Answer: CCOC(=O)c1cccc(C2=CCC(NC(=O)c3nc(Cl)c(CC)[nH]3)CC2)c1
Task: retrosynthesis
products: COC(=O)C(Cc1cccnc1)NC(=O)OC(C)(C)C
Answer: CC(C)(C)OC(=O)NC(Cc1cccnc1)C(=O)O.CO
Task: retrosynthesis
products: CC(C)(C)OC(=O)NC1CCN(c2cc(F)c(C#N)c(OCCN3CCOCC3)c2)CC1
Answer: CC(C)(C)OC(=O)NC1CCN(c2cc(F)c(C#N)c(F)c2)CC1.OCCN1CCOCC1
Task: retrosynthesis
products: Cc1ccccc1-c1cc(N2CCN3CCOCC3C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
Answer: C1CN2CCOCC2CN1.Cc1ccccc1-c1cc(Cl)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
Task: retrosynthesis
products: NCc1nc2ncccc2c(=O)[nH]1
Answer: O=C1c2ccccc2C(=O)N1Cc1nc2ncccc2c(=O)[nH]1
Task: retrosynthesis
products: CC(C)(C)OC(=O)N1CCCCC1C(=O)NC(Cc1ccc(-c2ccc3c(c2)sc(=O)n3CCO[Si](C)(C)C(C)(C)C)cc1)C(N)=O
Answer: CC(C)(C)OC(=O)N1CCCCC1C(=O)NC(Cc1ccc(-c2ccc3c(c2)sc(=O)n3CCO)cc1)C(N)=O.CC(C)(C)[Si](C)(C)Cl
Task: retrosynthesis
products: Cn1cc(C(=O)O)c(=O)c2cc3cc(F)c(N4CC(N)C4(C)C)cc3nc21
Answer: CC1(C)NCC1N.Cn1cc(C(=O)O)c(=O)c2cc3cc(F)c(F)cc3nc21
Task: retrosynthesis
products: N#CC1(NC(=O)OCc2ccccc2)CC1
Answer: NC(=O)C1(NC(=O)OCc2ccccc2)CC1
Task: retrosynthesis
products: CCCOCCOc1cccc(F)n1
Answer: CCCOCCO.Fc1cccc(F)n1
Task: retrosynthesis
products: CC(=Cc1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCO2
Answer: COC(=O)c1ccc(C=C(C)c2ccc3c(c2)C(C)(C)CCO3)cc1
Task: retrosynthesis
products: C#Cc1cccc(NC(C)=O)c1
Answer: C#Cc1cccc(N)c1.CC(=O)OC(C)=O
Task: retrosynthesis
products: O=[N+]([O-])c1ccc(C(F)(F)F)c(O)c1
Answer: COc1cc([N+](=O)[O-])ccc1C(F)(F)F
Task: retrosynthesis
products: CCNC(=O)c1c(C)c(Cl)cc(C(C)=O)c1OCC
Answer: CCN.CCOc1c(C(C)=O)cc(Cl)c(C)c1C(=O)O
Task: retrosynthesis
products: CC(NC(=O)c1cc(-c2ccc(Cl)cn2)cc(C(C)(C)O)c1)c1ccc(C(F)(F)F)[n+]([O-])c1
Answer: CC(C)(O)c1cc(C(=O)O)cc(-c2ccc(Cl)cn2)c1.CC(N)c1ccc(C(F)(F)F)[n+]([O-])c1
Task: retrosynthesis
products: CC(C)(C)OC(=O)NC1CCN(C(=O)CN(C(=O)C=Cc2ccccc2)c2ccc(O)cc2)C1
Answer: CC(C)(C)OC(=O)NC1CCNC1.O=C(O)CN(C(=O)C=Cc1ccccc1)c1ccc(O)cc1
Task: retrosynthesis
products: CC1C(=O)N(COCC[Si](C)(C)C)N=C2COc3cc(C(F)(F)F)c(B4OC(C)(C)C(C)(C)O4)cc3N21
Answer: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1C(=O)N(COCC[Si](C)(C)C)N=C2COc3cc(C(F)(F)F)c(Br)cc3N21
Task: retrosynthesis
products: CN(C)CCOc1ccc(Br)c2c1CCCC2
Answer: CN(C)CCCl.Oc1ccc(Br)c2c1CCCC2
Task: retrosynthesis
products: CNC(=O)Nc1ccc(Oc2ccnc3cc(OCC4CCN(C)CC4)c(C#N)cc23)cc1Cl
Answer: C=O.CNC(=O)Nc1ccc(Oc2ccnc3cc(OCC4CCNCC4)c(C#N)cc23)cc1Cl
Task: retrosynthesis
products: COC(=O)c1cc(N2CCOCC2)nc(Cl)n1
Answer: C1COCCN1.COC(=O)c1cc(Cl)nc(Cl)n1
Task: retrosynthesis
products: COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1NS(=O)(=O)c1cc2ccccc2s1
Answer: COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Cl.Nc1ccccc1NS(=O)(=O)c1cc2ccccc2s1
Task: retrosynthesis
products: Cc1c(C(=O)NCCN2CCOCC2)cn2ncnc(Oc3ccc(N)cc3F)c12
Answer: Cc1c(C(=O)NCCN2CCOCC2)cn2ncnc(Oc3ccc([N+](=O)[O-])cc3F)c12
Task: retrosynthesis
products: Cc1c(C(=O)O)c2ccn(C)c(=O)c2n1C(C)c1ccccc1
Answer: CCOC(=O)c1c(C)n(C(C)c2ccccc2)c2c(=O)n(C)ccc12
Task: retrosynthesis
products: CC(COc1ccc(CC2SC(=O)N(C(c3ccccc3)(c3ccccc3)c3ccccc3)C2=O)cc1)N1CC(COc2cccc(Cl)c2)OC1=O
Answer: CC(CO)N1CC(COc2cccc(Cl)c2)OC1=O.O=C1SC(Cc2ccc(O)cc2)C(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1
Task: retrosynthesis
products: COc1ccccc1-c1cc(CCCCCCC(=O)O)on1
Answer: COC(=O)CCCCCCc1cc(-c2ccccc2OC)no1
Task: retrosynthesis
products: COc1cc(C)c(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)C(CNS(C)(=O)=O)C(=O)NOCc2ccccc2)c(C)c1
Answer: COc1cc(C)c(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)C(CNS(C)(=O)=O)C(=O)O)c(C)c1.NOCc1ccccc1
Task: retrosynthesis
products: CC(=O)c1c(C)cc(C)c(C)c1OCc1ccccc1
Answer: BrCc1ccccc1.CC(=O)c1c(C)cc(C)c(C)c1O
Task: retrosynthesis
products: C=CCOC(=O)NC(CC(=O)OC(C)(C)C)C(=O)N(C)OC
Answer: C=CCOC(=O)NC(CC(=O)OC(C)(C)C)C(=O)O.CNOC
Task: retrosynthesis
products: NCCC1(c2ccccc2)CC1COCc1ccccc1
Answer: N#CCC1(c2ccccc2)CC1COCc1ccccc1
Task: retrosynthesis
products: CN(CCNc1ncc(Cl)c(-c2cc3c(C(=O)NC4CC4)cccc3s2)n1)C(=O)OC(C)(C)C
Answer: CN(CCN)C(=O)OC(C)(C)C.O=C(NC1CC1)c1cccc2sc(-c3nc(Cl)ncc3Cl)cc12
Task: retrosynthesis
products: O=C(NC1C2CC3CC1CC(O)(C3)C2)C1CC(F)(F)CN1C(=O)OCc1ccccc1
Answer: NC1C2CC3CC1CC(O)(C3)C2.O=C(O)C1CC(F)(F)CN1C(=O)OCc1ccccc1
Task: retrosynthesis
products: COc1ccc(C#Cc2cnn(C)c2)c(OC)c1F
Answer: C#Cc1cnn(C)c1.COc1ccc(I)c(OC)c1F
Task: retrosynthesis
products: CC(C)(C)OC(=O)Nc1ccc(O)c(C(=O)O)c1
Answer: CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Nc1ccc(O)c(C(=O)O)c1
Task: retrosynthesis
products: Nc1noc(C2CCCNC2)n1
Answer: CC(C)(C)OC(=O)N1CCCC(c2nc(N)no2)C1
Task: retrosynthesis
products: COc1cccc(Oc2c(NCCOc3ncccn3)ncnc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1
Answer: COc1cccc(Oc2c(NCCO)ncnc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1.Clc1ncccn1
Task: retrosynthesis
products: Cc1ccc(S(=O)(=O)OCC2CCCO2)cc1
Answer: Cc1ccc(S(=O)(=O)Cl)cc1.OCC1CCCO1
Task: retrosynthesis
products: O=C(NC(C1CC1)C(F)(F)F)c1cnc(Cl)cn1
Answer: NC(C1CC1)C(F)(F)F.O=C(O)c1cnc(Cl)cn1
Task: retrosynthesis
products: CCOc1cc(N)c([N+](=O)[O-])cc1C(F)(F)F
Answer: CCO.Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]
Task: retrosynthesis
products: COC(=O)C1(NC(=O)OC(C)(C)C)CC1CCOS(C)(=O)=O
Answer: COC(=O)C1(NC(=O)OC(C)(C)C)CC1CCO.CS(=O)(=O)Cl
Task: retrosynthesis
products: COc1ccccc1-c1ccccc1SCC(=O)N(NC(=O)c1ccccc1)C(C)C
Answer: CC(C)N(NC(=O)c1ccccc1)C(=O)CSc1ccccc1Br.COc1ccccc1B(O)O
Task: retrosynthesis
products: COC(=O)N1CCC(C(=O)O)CC1Cc1cc(F)cc(C(F)(F)F)c1
Answer: COC(=O)C1CCN(C(=O)OC)C(Cc2cc(F)cc(C(F)(F)F)c2)C1
Task: retrosynthesis
products: COC(=O)C1CCN(C(=O)c2ccc3cc(OC(C)=O)ccc3c2)CC1
Answer: CC(=O)Oc1ccc2cc(C(=O)O)ccc2c1.COC(=O)C1CCNCC1
Task: retrosynthesis
products: O=C(Cn1nnnc1-c1ccc(CCCc2ccccc2)s1)OCCO
Answer: O=C(O)Cn1nnnc1-c1ccc(CCCc2ccccc2)s1.OCCO
Task: retrosynthesis
products: CC(=O)Nc1cc(Oc2ccc(N)nc2)ccn1
Answer: CC(=O)Nc1cc(Oc2ccc([N+](=O)[O-])nc2)ccn1
Task: retrosynthesis
products: CN1C(=O)N(C2CCNCC2)Cc2ccccc21
Answer: CN1C(=O)N(C2CCN(Cc3ccccc3)CC2)Cc2ccccc21
Task: retrosynthesis
products: Cc1nc(-c2cn(CCc3ccc(F)cc3)nn2)sc1C(=O)NCc1cccnc1
Answer: Cc1nc(-c2cn(CCc3ccc(F)cc3)nn2)sc1C(=O)O.NCc1cccnc1
Task: retrosynthesis
products: Cc1onc(-c2cccc(F)c2)c1C(=O)N1CCN(c2ccccc2O)CC1
Answer: Cc1onc(-c2cccc(F)c2)c1C(=O)O.Oc1ccccc1N1CCNCC1
Task: retrosynthesis
products: CCOCC(Sc1ccc(OCC(=O)O)c(C)c1)c1cccc(-c2ccc(C(F)(F)F)cc2)n1
Answer: CCOCC(Sc1ccc(OCC(=O)OCC)c(C)c1)c1cccc(-c2ccc(C(F)(F)F)cc2)n1
Task: retrosynthesis
products: CCCCCC1CCC(C2CCC(COc3ccc(OCC)c(F)c3)CC2)CC1
Answer: CCCCCC1CCC(C2CCC(CI)CC2)CC1.CCOc1ccc(O)cc1F
Task: retrosynthesis
products: COC1(c2cc(F)cc(Sc3ccc4c(c3)OCCC4=NO)c2)CCOCC1
Answer: COC1(c2cc(F)cc(Sc3ccc4c(c3)OCCC4=O)c2)CCOCC1.NO
Task: retrosynthesis
products: COC(=O)C1OC(n2cnc3c(NC4CCCC4)ncnc32)C2OC(C)(C)OC12
Answer: CC1(C)OC2C(C(=O)O)OC(n3cnc4c(NC5CCCC5)ncnc43)C2O1.CO
Task: retrosynthesis
products: CC(C)COc1cccc(O)c1
Answer: CC(C)CBr.Oc1cccc(O)c1
Task: retrosynthesis
products: CCCCc1nc2cc(-c3ccccc3)c(C=O)nc2n1Cc1ccc(-c2ccccc2-c2nnnn2C(C)OCC)cc1
Answer: CCCCc1nc2cc(-c3ccccc3)c(CO)nc2n1Cc1ccc(-c2ccccc2-c2nnnn2C(C)OCC)cc1
Task: retrosynthesis
products: c1ccc2sc(Oc3ccc4[nH]cc(CCN5CCCCC5)c4c3)nc2c1
Answer: C1CCNCC1.CS(=O)(=O)OCCc1c[nH]c2ccc(Oc3nc4ccccc4s3)cc12
Task: retrosynthesis
products: O=C(NCCC1CC1)c1ccc(N2CCN(c3ncccc3C(F)(F)F)CC2)nn1
Answer: FC(F)(F)c1cccnc1N1CCNCC1.O=C(NCCC1CC1)c1ccc(Cl)nn1
Task: retrosynthesis
products: Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(C)c1NC(=O)c1cccc(NC(=O)c2ccccc2)c1
Answer: Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(C)c1N.O=C(Cl)c1cccc(NC(=O)c2ccccc2)c1
Task: retrosynthesis
products: CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3CC(=O)O)CSC12)c1csc(NC=O)n1
Answer: CON=C(C(=O)O)c1csc(NC=O)n1.NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3CC(=O)O)CSC12
Task: retrosynthesis
products: CC(C)(C#N)Oc1cccc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)sc4n3)ccc2Cl)c1Cl
Answer: CC(C)(C#N)Oc1cccc(C(=O)O)c1Cl.Nc1cc(Oc2ccc3nc(NC(=O)C4CC4)sc3n2)ccc1Cl
Task: retrosynthesis
products: CCCCCCCCC=CCCCCCCCCO
Answer: CCCCCCCCC=CCCCCCCCC(=O)O
Task: retrosynthesis
products: CC(c1ccc(Oc2ccc(C=O)c(C(F)(F)F)c2)cc1Cl)C(O)(c1ccc2c(c1)N(C)C(=O)CO2)C(F)(F)F
Answer: CC(c1ccc(O)cc1Cl)C(O)(c1ccc2c(c1)N(C)C(=O)CO2)C(F)(F)F.O=Cc1ccc(F)cc1C(F)(F)F
Task: retrosynthesis
products: COc1ccc(NC(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCOCC5)c(C#N)cc34)cc2)cc1
Answer: COc1ccc(NC(=O)Nc2ccc(Oc3ccnc4cc([O-])c(C#N)cc34)cc2)cc1.ClCCCN1CCOCC1
Task: retrosynthesis
products: CCOC(=O)c1cn(C2CC2)c2c(CO)c(N3CCN(C)CC3)c(F)cc2c1=O
Answer: CCOC(=O)c1cn(C2CC2)c2c(COC(C)=O)c(N3CCN(C)CC3)c(F)cc2c1=O
Task: retrosynthesis
products: Cc1cc(C=O)ccc1OCCc1nc(-c2ccccc2)oc1C
Answer: Cc1cc(C=O)ccc1O.Cc1oc(-c2ccccc2)nc1CCOS(C)(=O)=O
Task: retrosynthesis
products: COc1ccc(OC)c(Nc2ncc(C(=O)O)c(=O)[nH]2)c1
Answer: CCOC(=O)c1cnc(Nc2cc(OC)ccc2OC)[nH]c1=O
Task: retrosynthesis
products: O=C(O)c1cn(-c2cccc([N+](=O)[O-])c2)[nH]c1=O
Answer: COC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)[nH]c1=O
Task: retrosynthesis
products: Oc1ccc(SCCOC2CCCCO2)cc1
Answer: C1=COCCC1.OCCSc1ccc(O)cc1
Task: retrosynthesis
products: CCOc1nc(Cl)ncc1F
Answer: CCO.Fc1cnc(Cl)nc1Cl
Task: retrosynthesis
products: O=C(O)c1ccc(-c2ccc(=O)[nH]c2)cc1
Answer: COc1ccc(-c2ccc(C(=O)O)cc2)cn1
Task: retrosynthesis
products: CC(Oc1cccc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)c1)(C(=O)Cl)[N+](=O)[O-]
Answer: CC(Oc1cccc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)c1)(C(=O)O)[N+](=O)[O-].O=S(Cl)Cl
Task: retrosynthesis
products: CCCCN(CCCC)C(=O)c1cccc(-c2ccc(C(=O)O)cc2C(=O)N2CCc3ccccc3C2)n1
Answer: CCCCN(CCCC)C(=O)c1cccc(-c2ccc(C(=O)OC)cc2C(=O)N2CCc3ccccc3C2)n1
Task: retrosynthesis
products: O=C(Nc1ccccn1)C(CC1CCCC1)c1ccc(SC(F)(F)F)cc1
Answer: Nc1ccccn1.O=C(O)C(CC1CCCC1)c1ccc(SC(F)(F)F)cc1
Task: retrosynthesis
products: Cc1c(C)c2c(c(C)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(c1ccc(C(C)C)cc1)C(C)(C)O2
Answer: Cc1c(C)c2c(c(C)c1O)C(c1ccc(C(C)C)cc1)C(C)(C)O2.O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1
Task: retrosynthesis
products: CCCN(Cc1ccccc1)C1COc2cc(OS(=O)(=O)C(F)(F)F)ccc2C1
Answer: CCCNC1COc2cc(OS(=O)(=O)C(F)(F)F)ccc2C1.O=Cc1ccccc1
Task: retrosynthesis
products: CN(CC1CC(Cc2nc3cc(C(F)(F)F)ccc3n2COCC[Si](C)(C)C)C1)CC1CC(n2ccc3c(N)ncnc32)C2OC(C)(C)OC12
Answer: C=O.CC1(C)OC2C(CNCC3CC(Cc4nc5cc(C(F)(F)F)ccc5n4COCC[Si](C)(C)C)C3)CC(n3ccc4c(N)ncnc43)C2O1
Task: retrosynthesis
products: CC(C)(C)NS(=O)(=O)C1CC1
Answer: CC(C)(C)N.O=S(=O)(Cl)C1CC1
Task: retrosynthesis
products: COc1cc2ncc(C#N)c(Nc3ccc(SC)cc3)c2cc1OC
Answer: COc1cc2ncc(C#N)c(Cl)c2cc1OC.CSc1ccc(N)cc1
Task: retrosynthesis
products: O=[N+]([O-])c1ccccc1OCC1CCNCC1
Answer: O=[N+]([O-])c1ccccc1Cl.OCC1CCNCC1
Task: retrosynthesis
products: COc1ccc2c(Oc3ccc(OCCN4CCCCCC4)cc3)c(OS(=O)(=O)C(F)(F)F)ccc2c1
Answer: COc1ccc2c(Oc3ccc(OCCN4CCCCCC4)cc3)c(O)ccc2c1.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F
Task: retrosynthesis
products: CNC(=O)COc1cccc2c1ccc(=O)n2CCN1CCC(N(Cc2ccc3c(c2)OCCO3)C(=O)OC(C)(C)C)CC1
Answer: CC(C)(C)OC(=O)N(Cc1ccc2c(c1)OCCO2)C1CCN(CCn2c(=O)ccc3c(OCC(=O)O)cccc32)CC1.CN
Task: retrosynthesis
products: NC(=O)c1ccc(-c2ccc3[nH]cc(CC4CCCN4)c3c2)cc1
Answer: NC(=O)c1ccc(-c2ccc3[nH]cc(CC4CCCN4C(=O)OCc4ccccc4)c3c2)cc1
Task: retrosynthesis
products: CC(C)(C)[Si](C)(C)OCc1cccc(CCCN2CCOCC2)n1
Answer: CC(C)(C)[Si](C)(C)OCc1cccc(CCC(=O)N2CCOCC2)n1
Task: retrosynthesis
products: C=CCCCCCCCCCN1C(C)(C)CCCC1(C)C
Answer: C=CCCCCCCCCCBr.CC1(C)CCCC(C)(C)N1
Task: retrosynthesis
products: CC(C)(C)OC(=O)C1CSC(c2ccccc2)N1C(=O)CNC(=O)Nc1cccc(CCC(=O)O)c1
Answer: CCOC(=O)CCc1cccc(NC(=O)NCC(=O)N2C(C(=O)OC(C)(C)C)CSC2c2ccccc2)c1
Task: retrosynthesis
products: O=C(O)c1nc(C(=O)c2cccs2)c2sccc2n1
Answer: CCOC(=O)c1nc(C(=O)c2cccs2)c2sccc2n1
Task: retrosynthesis
products: CCOCc1nc2c(N)nc3cc(Br)ccc3c2n1CCCCN
Answer: CCOCc1nc2c(N)nc3cc(Br)ccc3c2n1CCCCNC(=O)OC(C)(C)C
Task: retrosynthesis
products: CCCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n(C2CCOCC2)c2nc(C)nn12
Answer: CCCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(C2CCOCC2)c2nc(C)nn12.O=C([O-])O.[NH3+]O
Task: retrosynthesis
products: Nc1c(Cl)cccc1-c1nnn[nH]1
Answer: N#Cc1cccc(Cl)c1N.[N-]=[N+]=[N-]
Task: retrosynthesis
products: CS(=O)(=O)c1ccc(OCCBr)cc1
Answer: BrCCBr.CS(=O)(=O)c1ccc(O)cc1
Task: retrosynthesis
products: O=C(O)CNC(=O)C1=C(O)c2cc(F)c(F)cc2C2(CCOCC2)C1=O
Answer: CC(C)(C)OC(=O)CNC(=O)C1=C(O)c2cc(F)c(F)cc2C2(CCOCC2)C1=O
Task: retrosynthesis
products: COc1cccc2c(OCCBr)ccc(C=O)c12
Answer: BrCCBr.COc1cccc2c(O)ccc(C=O)c12
Task: retrosynthesis
products: CC(=O)Nc1ccc(-c2nc(SCc3cccc(CN4CCN(C(=O)c5ccccc5)CC4)n3)nc(N)c2C#N)cc1
Answer: CC(=O)Nc1ccc(-c2nc(SCc3cccc(CN4CCNCC4)n3)nc(N)c2C#N)cc1.O=C(O)c1ccccc1
Task: retrosynthesis
products: COCCNC(=O)c1cccc(C=O)c1
Answer: COCCN.O=Cc1cccc(C(=O)Cl)c1
Task: retrosynthesis
products: CCCn1c(C)nc2cc(-c3nc4cc(NC(C)=O)ccc4o3)ccc21
Answer: CC(=O)OC(C)=O.CCCn1c(C)nc2cc(-c3nc4cc(N)ccc4o3)ccc21
Task: retrosynthesis
products: CC(C)(C)c1ccc(NC(=O)N2CCC3(CC2)CC(c2ncccc2Cl)=NO3)cc1
Answer: CC(C)(C)c1ccc(N=C=O)cc1.Clc1cccnc1C1=NOC2(CCNCC2)C1
Task: retrosynthesis
products: CC(C)(C#N)c1cccc(C(=O)Nc2cc(N)c(F)cc2F)c1
Answer: CC(C)(C#N)c1cccc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)c1
Task: retrosynthesis
products: Cc1cc(Br)sc1C(=O)NCc1ccccc1
Answer: Cc1ccsc1C(=O)NCc1ccccc1.O=C1CCC(=O)N1Br
Task: retrosynthesis
products: COc1cc(Br)cc(C)c1N
Answer: BrBr.COc1cccc(C)c1N
Task: retrosynthesis
products: CC[Si](CC)(CC)c1[nH]c2ccc(C#N)cc2c1CCBr
Answer: BrC(Br)(Br)Br.CC[Si](CC)(CC)c1[nH]c2ccc(C#N)cc2c1CCO
Task: retrosynthesis
products: CC(NC(=O)OCc1ccccc1)C(=O)N1CCCC1C(=O)Nc1ccccc1
Answer: CC(NC(=O)OCc1ccccc1)C(=O)N1CCCC1C(=O)O.Nc1ccccc1
Task: retrosynthesis
products: Cc1nc2c(Cl)c(NC(=O)c3cc(Cl)cc(Cl)c3)ccc2s1
Answer: Cc1nc2c(Cl)c(N)ccc2s1.O=C(Cl)c1cc(Cl)cc(Cl)c1
Task: retrosynthesis
products: Nc1cccnc1S(=O)(=O)Nc1cccc2cccnc12
Answer: O=[N+]([O-])c1cccnc1S(=O)(=O)Nc1cccc2cccnc12
Task: retrosynthesis
products: CCOC(=O)Cc1ccc(N)c(O)c1
Answer: CCOC(=O)Cc1ccc([N+](=O)[O-])c(O)c1
Task: retrosynthesis
products: Cc1nc2c(N)nc3ccccc3c2n1CCOCCNS(=O)(=O)C(C)C
Answer: CC(C)S(=O)(=O)Cl.Cc1nc2c(N)nc3ccccc3c2n1CCOCCN
Task: retrosynthesis
products: Cc1nc(C2CNCCO2)[nH]c1-c1ccccc1
Answer: Cc1nc(C2CN(Cc3ccccc3)CCO2)[nH]c1-c1ccccc1
Task: retrosynthesis
products: CCOc1cc(Cn2cc(CCC(=O)O)c(OCC)n2)ccc1OCc1nc(-c2ccccc2)oc1C
Answer: CCOC(=O)CCc1cn(Cc2ccc(OCc3nc(-c4ccccc4)oc3C)c(OCC)c2)nc1OCC
Task: retrosynthesis
products: CC(C)(C)OC(=O)N1CCC(Oc2ccc(N)cc2)CC1
Answer: CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1
Task: retrosynthesis
products: COC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)nc1
Answer: COC(=O)c1ccc(Cl)nc1.Oc1ccc(C(F)(F)F)cc1
Task: retrosynthesis
products: CCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2CN)cc1
Answer: CCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2CN2C(=O)c3ccccc3C2=O)cc1
Task: retrosynthesis
products: CC(C)(C)OC(=O)N1CCC(=O)CC1Cc1ccccc1
Answer: CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.O=C1CCNC(Cc2ccccc2)C1
Task: retrosynthesis
products: Oc1ccc(NC2=NN(c3ccccc3)CC2)cc1
Answer: c1ccc(COc2ccc(NC3=NN(c4ccccc4)CC3)cc2)cc1
Task: retrosynthesis
products: COc1cc(C=O)ccc1OCc1ccccc1
Answer: BrCc1ccccc1.COc1cc(C=O)ccc1O
Task: retrosynthesis
products: CC(=O)Nc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1
Answer: CC(=O)Nc1ccc(O)cc1.O=[N+]([O-])c1cc(Cl)ccc1F
Task: retrosynthesis
products: BrCc1cc(Br)ccc1OCc1ccccc1
Answer: BrP(Br)Br.OCc1cc(Br)ccc1OCc1ccccc1
Task: retrosynthesis
products: COc1cc(-c2cccc(F)c2)c(F)cc1-n1c(=O)ccc2cc(SCc3ccccc3)ccc21
Answer: COc1cc(Br)c(F)cc1-n1c(=O)ccc2cc(SCc3ccccc3)ccc21.OB(O)c1cccc(F)c1
Task: retrosynthesis
products: COc1c(N2CCC(n3nncc3C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
Answer: COc1c(F)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.Cc1cnnn1C1CCNC1
Task: retrosynthesis
products: CCNCCn1c(Cc2ccccc2OC)nc2ccccc2c1=O
Answer: CCN.COc1ccccc1Cc1nc2ccccc2c(=O)n1CCCl
Task: retrosynthesis
products: CCOC(=O)c1cc(=O)c2ccc(COc3ccc(OCc4ccc5ccccc5n4)cc3)cc2o1
Answer: CCOC(=O)c1cc(=O)c2ccc(CBr)cc2o1.Oc1ccc(OCc2ccc3ccccc3n2)cc1