blc-org/A-secret-data-repo huggingface dataset:
Task: retrosynthesis
products: CON(C)C(=O)C(C)(C)CO[Si](C(C)C)(C(C)C)C(C)C
Answer: CC(C)[Si](OCC(C)(C)C(=O)O)(C(C)C)C(C)C.CNOC
Task: retrosynthesis
products: COc1cccc(C2CC2NC(=O)C(C)(C)c2nccnc2Cl)c1
Answer: CC(C)(C(=O)O)c1nccnc1Cl.COc1cccc(C2CC2N)c1
Task: retrosynthesis
products: CC(=O)N1CC(O)CC1C(=O)N1CC(c2ccccc2)C(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1
Answer: CC(=O)N1CC(O)CC1C(=O)O.CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CNCC1c1ccccc1
Task: retrosynthesis
products: CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(N)C(Oc4ccccc4)C3)C(C)CCC1=O)C(C)CC2OC
Answer: CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(N=[N+]=[N-])C(Oc4ccccc4)C3)C(C)CCC1=O)C(C)CC2OC
Task: retrosynthesis
products: O=C(Nc1cc2ccc(N3CCOCC3)cc2nc1C(=O)O)OCc1ccccc1
Answer: CCOC(=O)c1nc2cc(N3CCOCC3)ccc2cc1NC(=O)OCc1ccccc1
Task: retrosynthesis
products: COC(=O)Cc1ccc(NS(=O)(=O)c2ccccc2)cc1C
Answer: COC(=O)Cc1ccc(N)cc1C.O=S(=O)(Cl)c1ccccc1
Task: retrosynthesis
products: O=C1CCN(c2ccncc2)CC1
Answer: c1cc(N2CCC3(CC2)OCCO3)ccn1
Task: retrosynthesis
products: O=C(C=Cc1ccc(OCc2ccccc2)cc1)C1CC1
Answer: CC(=O)C1CC1.O=Cc1ccc(OCc2ccccc2)cc1
Task: retrosynthesis
products: CC(C)C1CN(c2ccc(C(F)(F)F)nc2)C(=O)N1CC(=O)O
Answer: CC(C)C1CN(c2ccc(C(F)(F)F)nc2)C(=O)N1CC(=O)OC(C)(C)C
Task: retrosynthesis
products: COC(=O)CC1CCc2cc(O)ccc21
Answer: COC(=O)CC1CCc2cc(OC)ccc21
Task: retrosynthesis
products: COc1ccc(CN(Cc2ccnc3[nH]c(-c4cn(C)c5cc(OC)c(OC)cc45)cc23)C(=O)Nc2ccc(OC(F)(F)F)cc2)c(OC)c1
Answer: COc1ccc(CN(Cc2ccnc3c2cc(-c2cn(C)c4cc(OC)c(OC)cc24)n3S(=O)(=O)c2ccc(C)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)c(OC)c1
Task: retrosynthesis
products: CC(O)CCSC(=S)Nc1ccc(Cl)cn1
Answer: CC(=O)CCSC(=S)Nc1ccc(Cl)cn1
Task: retrosynthesis
products: CC1(C)OCc2cc(C(O)CNCCCCCCOCCC#Cc3ccc(S(=O)(=O)C4CCCC4)cc3)ccc2O1
Answer: CC1(C)OCc2cc(C(O)CN)ccc2O1.O=S(=O)(c1ccc(C#CCCOCCCCCCBr)cc1)C1CCCC1
Task: retrosynthesis
products: CN(C)C(=O)COc1ccc2c(c1)c(-c1nnn[nH]1)cn2Cc1ccc2oc(-c3nc(C(C)(C)C)cs3)cc2c1
Answer: CC(C)(C)c1csc(-c2cc3cc(Cn4cc(-c5nnn[nH]5)c5cc(OCC(=O)O)ccc54)ccc3o2)n1.CNC
Task: retrosynthesis
products: CC(C)CNC1CCN(C(=O)OC(C)(C)C)CC1
Answer: CC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)CN
Task: retrosynthesis
products: CON(C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1
Answer: CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1.CNOC
Task: retrosynthesis
products: O=[N+]([O-])c1ccc(Oc2ccccc2)c(F)c1
Answer: O=[N+]([O-])c1ccc(F)c(F)c1.Oc1ccccc1
Task: retrosynthesis
products: CC(=O)NCC1CC1c1cccc2nn(C)cc12
Answer: CC(=O)OC(C)=O.Cn1cc2c(C3CC3CN)cccc2n1
Task: retrosynthesis
products: CCCCCCN1CC2C(C1)C2(C)c1cccc(-c2ccccn2)c1
Answer: CCCCCCN1CC2C(C1=O)C2(C)c1cccc(-c2ccccn2)c1
Task: retrosynthesis
products: O=C(Nc1ccn(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])C(=O)C2)c(=O)n1)OC(c1ccccc1)c1ccccc1
Answer: O=C(O)Cn1ccc(NC(=O)OC(c2ccccc2)c2ccccc2)nc1=O.O=C1CNCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]
Task: retrosynthesis
products: CC(C)(C)c1ccc(CN(CCc2cccc(Cl)c2)C(=O)c2cccc3cc[nH]c23)cc1
Answer: CC(C)(C)c1ccc(CNCCc2cccc(Cl)c2)cc1.O=C(O)c1cccc2cc[nH]c12
Task: retrosynthesis
products: CC(C)(O)CCOS(=O)(=O)c1ccc(C(F)(F)F)cc1
Answer: CC(C)(O)CCO.O=S(=O)(Cl)c1ccc(C(F)(F)F)cc1
Task: retrosynthesis
products: COC(=O)c1cncc(-c2ccc(Cl)c(Cl)c2)c1
Answer: COC(=O)c1cncc(Br)c1.OB(O)c1ccc(Cl)c(Cl)c1
Task: retrosynthesis
products: COCC#Cc1cc(F)c(Nc2ncnc3cc(OCCCN4CCN(C(C)=O)CC4)c(OC)cc23)c2c1OCO2
Answer: COCC#Cc1cc(F)c(N)c2c1OCO2.COc1cc2c(Cl)ncnc2cc1OCCCN1CCN(C(C)=O)CC1
Task: retrosynthesis
products: O=C(O)c1ccc(-n2ncc(C(=O)NC3C4CC5CC(C4)CC3C5)c2SC2CCCCC2)cc1
Answer: COC(=O)c1ccc(-n2ncc(C(=O)NC3C4CC5CC(C4)CC3C5)c2SC2CCCCC2)cc1
Task: retrosynthesis
products: O=Cc1cccc(OCCCCCCCCC2OCCO2)c1
Answer: BrCCCCCCCCC1OCCO1.O=Cc1cccc(O)c1
Task: retrosynthesis
products: CN(C)C(=O)CCCC#Cc1cccc(C(=O)NC2CC2)c1
Answer: CN(C)C(=O)CCCC#Cc1cccc(C(=O)O)c1.NC1CC1
Task: retrosynthesis
products: COC(=O)C(C)CCCC(C)=O
Answer: CC(=O)CCCC(C)C(=O)O.CO
Task: retrosynthesis
products: CON(C)C(=O)Cc1ccccc1
Answer: CNOC.O=C(O)Cc1ccccc1
Task: retrosynthesis
products: CC(O)(C(=O)Nc1ccc(S(=O)(=O)c2ccccc2)c(F)c1)C(F)(F)F
Answer: CC(O)(C(=O)O)C(F)(F)F.Nc1ccc(S(=O)(=O)c2ccccc2)c(F)c1
Task: retrosynthesis
products: COC(=O)CCCCCCCn1cc(-c2ccccc2)c(-c2ccccc2)n1
Answer: COC(=O)CCCCCCCBr.c1ccc(-c2c[nH]nc2-c2ccccc2)cc1
Task: retrosynthesis
products: c1ccc(OC2CCC3(CC2)OCCO3)cc1
Answer: OC1CCC2(CC1)OCCO2.Oc1ccccc1
Task: retrosynthesis
products: CC(=O)c1sc(N2CCN(Cc3cccc(C(=O)O)c3)C2=O)nc1C
Answer: COC(=O)c1cccc(CN2CCN(c3nc(C)c(C(C)=O)s3)C2=O)c1
Task: retrosynthesis
products: NCC1Cc2cc(Cl)c3c(c2O1)CCC3
Answer: [N-]=[N+]=NCC1Cc2cc(Cl)c3c(c2O1)CCC3
Task: retrosynthesis
products: Cc1ccc(S(=O)(=O)OCCC(C)O)cc1
Answer: CC(O)CCO.Cc1ccc(S(=O)(=O)Cl)cc1
Task: retrosynthesis
products: O=[N+]([O-])c1ccccc1CNC1CCN(Cc2ccccc2)CC1
Answer: NC1CCN(Cc2ccccc2)CC1.O=Cc1ccccc1[N+](=O)[O-]
Task: retrosynthesis
products: CCC(CC)(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)c1ccc(OCC(O)C(C)(C)C)c(C)c1
Answer: CCC(CC)(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
Task: retrosynthesis
products: CC(C)(C)c1cc(CC(N)C(N)=O)ccc1O
Answer: COC(=O)C(N)Cc1ccc(O)c(C(C)(C)C)c1.N
Task: retrosynthesis
products: CC(C)(C)OC(=O)Nc1ccc([N+](=O)[O-])c(N)c1
Answer: CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Nc1ccc([N+](=O)[O-])c(N)c1
Task: retrosynthesis
products: CON(C)C(=O)c1ccc(Cl)c(Cl)c1
Answer: CNOC.O=C(O)c1ccc(Cl)c(Cl)c1
Task: retrosynthesis
products: CC(C)n1nc(CN2CCOCC2)cc1C(=O)O
Answer: CC(C)n1nc(CN2CCOCC2)cc1C(=O)OC(C)(C)C
Task: retrosynthesis
products: CC1(C)OCC(CNCc2c[nH]c3c(=O)[nH]cnc23)CO1
Answer: CC1(C)OCC(CN(Cc2ccccc2)Cc2c[nH]c3c(=O)[nH]cnc23)CO1
Task: retrosynthesis
products: CN1CCN(C(=O)c2cccc(C(c3cc(F)ccc3F)S(=O)(=O)c3ccc(Cl)cc3)n2)CC1
Answer: CN1CCNCC1.O=C(O)c1cccc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)n1
Task: retrosynthesis
products: O=C(Nc1cc(Cl)c(C(F)(F)F)cc1O)c1ccncc1
Answer: Nc1cc(Cl)c(C(F)(F)F)cc1O.O=C(O)c1ccncc1
Task: retrosynthesis
products: C=CC(=O)Nc1cccc(-c2nc(Nc3ccc(N4CCOCC4)c(O)c3)nc3c2cnn3C2CCCCO2)c1
Answer: C=CC(=O)Nc1cccc(-c2nc(Cl)nc3c2cnn3C2CCCCO2)c1.Nc1ccc(N2CCOCC2)c(O)c1
Task: retrosynthesis
products: CCOC(=O)c1cnc(N2CC(NC(=O)c3nc(Cl)c(CC)[nH]3)C2)s1
Answer: CCOC(=O)c1cnc(N2CC(N)C2)s1.CCc1[nH]c(C(=O)O)nc1Cl
Task: retrosynthesis
products: CCN1CCCN(c2ncc(C(=O)OC)cn2)CC1
Answer: CCN1CCCNCC1.COC(=O)c1cnc(Cl)nc1
Task: retrosynthesis
products: Cn1c(C(=O)C2CC2)nc2ccc(-n3ccc(OCc4ccc(F)cc4)cc3=O)cc21
Answer: Cn1c(C(=O)C2CC2)nc2ccc(Br)cc21.O=c1cc(OCc2ccc(F)cc2)cc[nH]1
Task: retrosynthesis
products: O=C(Nc1ccc(O)cc1)c1ccccc1
Answer: Nc1ccc(O)cc1.O=C(Cl)c1ccccc1
Task: retrosynthesis
products: COc1ccc(-c2ccc(C(=O)NCCOc3ccc(CC(Oc4ccc(C(C)C)cc4)C(=O)O)cc3)cc2)cc1
Answer: CCOC(=O)C(Cc1ccc(OCCNC(=O)c2ccc(-c3ccc(OC)cc3)cc2)cc1)Oc1ccc(C(C)C)cc1
Task: retrosynthesis
products: CN(C)CCN1C(=O)c2cccc3cc4cccc(NC(=O)Oc5ccc(F)cc5)c4c(c23)C1=O
Answer: CN(C)CCN1C(=O)c2cccc3cc4cccc(N)c4c(c23)C1=O.O=C(Cl)Oc1ccc(F)cc1
Task: retrosynthesis
products: CN(c1cc(OCCCS(C)(=O)=O)cc2cc(C(=O)O)[nH]c12)S(=O)(=O)c1ccccn1
Answer: CCOC(=O)c1cc2cc(OCCCS(C)(=O)=O)cc(N(C)S(=O)(=O)c3ccccn3)c2[nH]1
Task: retrosynthesis
products: CCOC(=O)CNc1cc(-n2ccnc2)c(C)cc1[N+](=O)[O-]
Answer: CCOC(=O)CNc1cc(F)c(C)cc1[N+](=O)[O-].c1c[nH]cn1
Task: retrosynthesis
products: O=C(CBr)c1cc(Cl)ccc1Cl
Answer: BrBr.CC(=O)c1cc(Cl)ccc1Cl
Task: retrosynthesis
products: O=C(O)c1cccc(NC2CCC(O)CC2)c1
Answer: COC(=O)c1cccc(NC2CCC(O)CC2)c1
Task: retrosynthesis
products: Cc1cc(N)cnc1Oc1ccnc(NC(=O)C2CC2)c1
Answer: Cc1cc([N+](=O)[O-])cnc1Oc1ccnc(NC(=O)C2CC2)c1
Task: retrosynthesis
products: N#CC(=Cc1ccc(O)cc1)c1ccc(O)cc1
Answer: COc1ccc(C=C(C#N)c2ccc(OC)cc2)cc1
Task: retrosynthesis
products: Nc1nc(N)c2nc(CN3CCN(Cc4ccccc4Cl)CC3)nnc2n1
Answer: ClCc1ccccc1Cl.Nc1nc(N)c2nc(CN3CCNCC3)nnc2n1
Task: retrosynthesis
products: COCOc1ccccc1CCN(Cc1cccc(CCO)c1)C(=O)OC(C)(C)C
Answer: CC(C)(C)OC(=O)N(CCc1ccccc1O)Cc1cccc(CCO)c1.COCCl
Task: retrosynthesis
products: COc1cn(-c2cc3c(cc2F)OC(F)(F)O3)nc(C(=O)O)c1=O
Answer: COC(=O)c1nn(-c2cc3c(cc2F)OC(F)(F)O3)cc(OC)c1=O
Task: retrosynthesis
products: N#Cc1nc(C(=O)NC(CC(=O)O)Cc2ccccc2)c(O)c2ccc(Oc3ccccc3)cc12
Answer: COC(=O)c1nc(C#N)c2cc(Oc3ccccc3)ccc2c1O.NC(CC(=O)O)Cc1ccccc1
Task: retrosynthesis
products: Oc1c(Cc2c[nH]nn2)ccn(-c2ccccc2)c1=S
Answer: COc1c(Cc2c[nH]nn2)ccn(-c2ccccc2)c1=S
Task: retrosynthesis
products: CC(C)N1Cc2cc(N)nn2CC1=O
Answer: CC(C)N1Cc2cc([N+](=O)[O-])nn2CC1=O
Task: retrosynthesis
products: CN(C)C(=O)c1cc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccnc(OC4CCOCC4)c23)ccn1
Answer: CNC.O=C(O)c1cc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccnc(OC4CCOCC4)c23)ccn1
Task: retrosynthesis
products: CN1CCCN(C(=O)CC2CCN(c3ncc(Br)cc3[N+](=O)[O-])CC2)CC1
Answer: CN1CCCNCC1.O=C(O)CC1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1
Task: retrosynthesis
products: COC(=O)c1ccc(N(C)C)cc1Cl
Answer: CNC.COC(=O)c1ccc(F)cc1Cl
Task: retrosynthesis
products: Cc1ccn2nc(C(C)Nc3ncnc4[nH]cc(-c5cc(NC(N)=O)cc6[nH]ccc56)c34)n(-c3ccccc3)c(=O)c12
Answer: Cc1ccn2nc(C(C)Nc3ncnc4c3c(-c3cc(NC(N)=O)cc5[nH]ccc35)cn4COCC[Si](C)(C)C)n(-c3ccccc3)c(=O)c12
Task: retrosynthesis
products: CCOC(=O)C1CCCC1NCC1CC1
Answer: CCOC(=O)C1CCCC1N.O=CC1CC1
Task: retrosynthesis
products: CC(c1ccc(N)cc1)n1ccnc1
Answer: CC(c1ccc([N+](=O)[O-])cc1)n1ccnc1
Task: retrosynthesis
products: Cc1ccc(S(=O)(=O)OCC(O)Cc2c(Cl)cc3c(c2OCc2ccccc2)CCC3)cc1
Answer: Cc1ccc(S(=O)(=O)Cl)cc1.OCC(O)Cc1c(Cl)cc2c(c1OCc1ccccc1)CCC2
Task: retrosynthesis
products: Nc1nc(NCc2ccco2)ccc1C(=O)NCc1ccc(Oc2ccccc2)s1
Answer: NCc1ccco1.Nc1nc(Cl)ccc1C(=O)NCc1ccc(Oc2ccccc2)s1
Task: retrosynthesis
products: CSc1nc(N)c(C#N)c(NC(C)c2nc3ccn(C)c3cc2-c2cscn2)n1
Answer: CC(N)c1nc2ccn(C)c2cc1-c1cscn1.CSc1nc(N)c(C#N)c(Cl)n1
Task: retrosynthesis
products: COCCOCCOc1ccc2sc(C(=O)Nc3ccccc3N)cc2c1
Answer: COCCOCCOc1ccc2sc(C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)cc2c1
Task: retrosynthesis
products: CCOc1cc(Br)ccc1N
Answer: BrBr.CCOc1ccccc1N
Task: retrosynthesis
products: O=C(Nc1n[nH]c(=S)s1)NC(Cc1ccccc1)C(=O)O
Answer: COC(=O)C(Cc1ccccc1)NC(=O)Nc1n[nH]c(=S)s1
Task: retrosynthesis
products: COc1ccc(N2CCN(C)CC2)cc1[N+](=O)[O-]
Answer: CN1CCNCC1.COc1ccc(Br)cc1[N+](=O)[O-]
Task: retrosynthesis
products: CC(C)NCC=Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)OCC1CC21
Answer: COC(=O)c1c(NS(=O)(=O)c2ccc(F)cc2C=CCNC(C)C)ccc2c1OCC1CC21
Task: retrosynthesis
products: NC(=O)c1ccc(-c2ccccc2F)c2c3c([nH]c12)CCCC3
Answer: O=C(O)c1ccc(-c2ccccc2F)c2c3c([nH]c12)CCCC3.[NH4+]
Task: retrosynthesis
products: CN(C)C(=O)CN1CCc2ccc([N+](=O)[O-])cc2CC1
Answer: CN(C)C(=O)CCl.O=[N+]([O-])c1ccc2c(c1)CCNCC2
Task: retrosynthesis
products: Cc1c(F)c(N2CCN3CCC2C3)cc2c1c(=O)c(C(=O)O)cn2C1CC1F
Answer: C1CN2CCC(C2)N1.Cc1c(F)c(F)cc2c1c(=O)c(C(=O)O)cn2C1CC1F
Task: retrosynthesis
products: Cc1c(C(COc2ccccc2)Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)oc2ccccc12
Answer: CCOC(=O)CCN(C)C(=O)c1ccc(NC(COc2ccccc2)c2oc3ccccc3c2C)cc1
Task: retrosynthesis
products: CCN(c1cc(S(C)(=O)=O)ccc1C(=O)O)S(C)(=O)=O
Answer: CCOC(=O)c1ccc(S(C)(=O)=O)cc1N(CC)S(C)(=O)=O
Task: retrosynthesis
products: CCCCCCCCCCCCCCCCC(O)CN(C)CCO
Answer: CCCCCCCCCCCCCCCCC1CO1.CNCCO
Task: retrosynthesis
products: Cc1cc(C(=O)O)ccc1CCC(=O)N1CCN(CCC(C)(C)C)CC1
Answer: COC(=O)c1ccc(CCC(=O)N2CCN(CCC(C)(C)C)CC2)c(C)c1
Task: retrosynthesis
products: CCNC(=O)C(C)Oc1ncn(-c2cccc(C(F)(F)F)c2)n1
Answer: CC(Oc1ncn(-c2cccc(C(F)(F)F)c2)n1)C(=O)O.CCN
Task: retrosynthesis
products: CC(C)(C)NC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(N3CCCNCC3)cc2c1=O
Answer: CC(C)(C)NC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(N3CCCN(C(=O)OC(C)(C)C)CC3)cc2c1=O
Task: retrosynthesis
products: O=Cc1ccc(OCc2c(Cl)cncc2Cl)cc1
Answer: Clc1cncc(Cl)c1CBr.O=Cc1ccc(O)cc1
Task: retrosynthesis
products: COC(=O)CCc1ccc(C(=O)CCc2nc(-c3ccccc3O)oc2C(C)C)cc1C
Answer: COC(=O)CCc1ccc(C(=O)CCc2nc(-c3ccccc3OC)oc2C(C)C)cc1C
Task: retrosynthesis
products: O=C(c1ccc(O)cc1)N1CCCC2c3ccccc3CC21
Answer: O=C(O)c1ccc(O)cc1.c1ccc2c(c1)CC1NCCCC21
Task: retrosynthesis
products: Nc1ccccc1S(=O)(=O)NC1CCCC1
Answer: O=[N+]([O-])c1ccccc1S(=O)(=O)NC1CCCC1
Task: retrosynthesis
products: NC(=O)c1ccc(Oc2ccc3c(c2)CCCC3O)nc1
Answer: NC(=O)c1ccc(Oc2ccc3c(c2)CCCC3=O)nc1
Task: retrosynthesis
products: ClCCN1CCCc2cc(Br)ccc21
Answer: O=C(CCl)N1CCCc2cc(Br)ccc21
Task: retrosynthesis
products: CCCC(C)(Br)C(=O)Nc1ccc(C(C)C)cc1
Answer: CC(C)c1ccc(N)cc1.CCCC(C)(Br)C(=O)Cl
Task: retrosynthesis
products: COc1ccc(Br)cc1S(=O)(=O)Nc1cc(-c2ccncc2)ccc1NS(=O)(=O)c1ccc(Cl)cc1
Answer: COc1ccc(Br)cc1S(=O)(=O)Cl.Nc1cc(-c2ccncc2)ccc1NS(=O)(=O)c1ccc(Cl)cc1
Task: retrosynthesis
products: CCNc1nc(Cl)nc2c1CCC2(C)c1ccccc1
Answer: CC1(c2ccccc2)CCc2c(Cl)nc(Cl)nc21.CCN
Task: retrosynthesis
products: CC(C)NCCCNc1ccc2ncc(Br)n2n1
Answer: CC(C)=O.NCCCNc1ccc2ncc(Br)n2n1
Task: retrosynthesis
products: CC1(C)OB(c2ccc(CO)c(F)c2)OC1(C)C
Answer: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.OCc1ccc(Br)cc1F
Task: retrosynthesis
products: COc1ccc(F)c(-c2ncc(OCc3cc(C(CC(=O)O)C4CC4)ccn3)cc2CC(C)(C)C)c1
Answer: CCOC(=O)CC(c1ccnc(COc2cnc(-c3cc(OC)ccc3F)c(CC(C)(C)C)c2)c1)C1CC1
Task: retrosynthesis
products: CC(C)=CCc1ccc(C(C)C(=O)O)cc1
Answer: CCOC(=O)C(C)c1ccc(CC=C(C)C)cc1
Task: retrosynthesis
products: CC(=O)Nc1ccc2c(N)c3ccc(N)cc3nc2c1
Answer: CC(=O)Nc1ccc2c(N)c3ccc([N+](=O)[O-])cc3nc2c1
Task: retrosynthesis
products: CCOC(=O)CCCOc1ccc(-c2c(CCN3CCN(c4cc(C)ccn4)CC3)c3cccc4c3n2CCC4)cc1
Answer: CCOC(=O)CCCBr.Cc1ccnc(N2CCN(CCc3c(-c4ccc(O)cc4)n4c5c(cccc35)CCC4)CC2)c1
Task: retrosynthesis
products: CC(O)C(=O)N1CCC(NC(=O)c2ccc3c(c2)nc(Nc2nc4ccc(Cl)cc4s2)n3C)C1
Answer: CC(O)C(=O)N1CCC(N)C1.Cn1c(Nc2nc3ccc(Cl)cc3s2)nc2cc(C(=O)O)ccc21
Task: retrosynthesis
products: COC(=O)Cc1cccc(OCC(C)CBr)c1
Answer: CC(CO)CBr.COC(=O)Cc1cccc(O)c1
Task: retrosynthesis
products: CCCc1nc2ccc(C(=O)c3ccccc3)cc2n1Cc1ccc(C(=O)O)cc1
Answer: CCCc1nc2ccc(C(=O)c3ccccc3)cc2n1Cc1ccc(C(=O)OC)cc1
Task: retrosynthesis
products: CC(C)(C)OC(=O)N1CCC(c2cc(F)ccc2O)CC1
Answer: CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Oc1ccc(F)cc1C1CCNCC1
Task: retrosynthesis
products: CC1CC(=O)c2cc(Oc3ccccc3)c(NS(C)(=O)=O)cc2O1
Answer: CC(CC(=O)O)Oc1ccc(Oc2ccccc2)c(NS(C)(=O)=O)c1
Task: retrosynthesis
products: COc1ccc(-n2nc(C(C)(C)OC)cc2-c2ccc(OCCO)cc2)cc1
Answer: COc1ccc(-n2nc(C(C)(C)OC)cc2-c2ccc(OCCO[Si](C)(C)C(C)(C)C)cc2)cc1
Task: retrosynthesis
products: CC(C)CC(NC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1
Answer: CC(C)CC(NC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)O.NC(Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1
Task: retrosynthesis
products: O=C(c1ccco1)N(c1cnccn1)C1CCNCC1
Answer: O=C(c1ccco1)N(c1cnccn1)C1CCN(Cc2ccccc2)CC1
Task: retrosynthesis
products: CCCc1cc(S(N)(=O)=O)ccc1O
Answer: C=CCc1cc(S(N)(=O)=O)ccc1O
Task: retrosynthesis
products: COC(=O)Cc1ccccc1Oc1ccccc1
Answer: CO.O=C(O)Cc1ccccc1Oc1ccccc1
Task: retrosynthesis
products: COC(=O)c1ccc(F)cc1F
Answer: CO.O=C(O)c1ccc(F)cc1F
Task: retrosynthesis
products: Brc1cccc(N2CC3CCC(C2)O3)c1
Answer: Brc1cccc(Br)c1.C1CC2CNCC1O2
Task: retrosynthesis
products: CCCc1ccc2c(Nc3cc(C)ccc3Sc3cccc(N)c3)ccnc2n1
Answer: CCCc1ccc2c(Nc3cc(C)ccc3Sc3cccc(NC(C)=O)c3)ccnc2n1
Task: retrosynthesis
products: Cc1cc(Cl)ccc1Oc1ccc(C2CCCN3CCS(=O)(=O)N=C23)cc1
Answer: Cc1cc(Cl)ccc1B(O)O.O=S1(=O)CCN2CCCC(c3ccc(O)cc3)C2=N1
Task: retrosynthesis
products: CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)c(NC(=O)OC(c2ccncc2)C2CCNCC2)c1
Answer: CC(=O)Cl.Nc1ccc(NC(=O)c2ccc(Cl)cc2)c(NC(=O)OC(c2ccncc2)C2CCNCC2)c1
Task: retrosynthesis
products: COc1ncccc1-c1cc(CCc2ccc(NS(C)(=O)=O)cn2)c(OC)c(C(C)(C)C)c1
Answer: COc1ncccc1-c1cc(CCc2ccc(N)cn2)c(OC)c(C(C)(C)C)c1.CS(=O)(=O)Cl
Task: retrosynthesis
products: CCCc1ccc(COc2ccc3c(c2)OCC(C=O)=C3)c(OC)c1
Answer: CCCc1ccc(CCl)c(OC)c1.O=CC1=Cc2ccc(O)cc2OC1
Task: retrosynthesis
products: CCCCCCCCC1C(O)CC(Cl)C1CCSc1nc(C(=O)O)cs1
Answer: CCCCCCCCC1C(O)CC(Cl)C1CCSc1nc(C(=O)OCC)cs1
Task: retrosynthesis
products: Nc1ccc2c(c1)CNCC2
Answer: O=[N+]([O-])c1ccc2c(c1)CNCC2
Task: retrosynthesis
products: COc1cc(Br)c(C(=O)c2ccc(C)cc2)cc1OCc1ccccc1
Answer: COc1cc(Br)c(C(O)c2ccc(C)cc2)cc1OCc1ccccc1
Task: retrosynthesis
products: CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1N=C(c2ccccc2)SC1C(=O)O
Answer: CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1N=C(c2ccccc2)SC1C(=O)OCc1ccccc1
Task: retrosynthesis
products: COC(=O)c1cc(Cl)cc(N)c1Br
Answer: COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1Br
Task: retrosynthesis
products: Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCC(C)(C)c3ccnc(N)c3)c3ccccc23)cc1
Answer: Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCC(C)(C)c3ccnc(NC(=O)OC(C)(C)C)c3)c3ccccc23)cc1
Task: retrosynthesis
products: COCOc1cccc(-c2ccc(F)cc2)c1F
Answer: COCOc1cccc(Br)c1F.OB(O)c1ccc(F)cc1
Task: retrosynthesis
products: Clc1ncccc1OCCOc1ccccc1
Answer: BrCCOc1ccccc1.Oc1cccnc1Cl
Task: retrosynthesis
products: COc1cc(-c2nc(-c3ccc4c(CCC(=O)O)c[nH]c4c3)no2)cnc1OC(C)C
Answer: COc1cc(-c2nc(-c3ccc4c(CCC(=O)[O-])c[nH]c4c3)no2)cnc1OC(C)C
Task: retrosynthesis
products: CC1(C)Oc2ccc(OC(F)(F)F)cc2C(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1O
Answer: CC1(C)Oc2ccc(OC(F)(F)F)cc2C(N)C1O.O=C(O)c1ccc(Cl)cc1[N+](=O)[O-]
Task: retrosynthesis
products: COC(=O)CC1(CC(=O)OC(C)(C)C)CCC(C)C1
Answer: CC1CCC(CC(=O)O)(CC(=O)OC(C)(C)C)C1.CO
Task: retrosynthesis
products: CN1C(=O)COc2ccc(N)cc21
Answer: CN1C(=O)COc2ccc([N+](=O)[O-])cc21
Task: retrosynthesis
products: Nc1ccccc1Oc1ccc(OCc2cccc([N+](=O)[O-])c2)cc1
Answer: Nc1ccccc1Oc1ccc(O)cc1.O=[N+]([O-])c1cccc(CCl)c1
Task: retrosynthesis
products: COC(=O)N1CCC(C(=O)O)CC1c1ccc(F)cc1
Answer: COC(=O)C1CCN(C(=O)OC)C(c2ccc(F)cc2)C1
Task: retrosynthesis
products: COC(=O)Nc1ccc2c(c1)CC(CN1CCC(n3c(C(C)(C)O)nc4cc(C)ccc43)CC1)C2
Answer: COC(=O)Cl.Cc1ccc2c(c1)nc(C(C)(C)O)n2C1CCN(CC2Cc3ccc(N)cc3C2)CC1
Task: retrosynthesis
products: C#Cc1ccc(C(=O)OCCCCCCC)cc1
Answer: CCCCCCCOC(=O)c1ccc(C#C[Si](C)(C)C)cc1
Task: retrosynthesis
products: Cc1c(CO)c2cnnc(OCc3ccccc3)c2n1Cc1ccccc1
Answer: Cc1c(C=O)c2cnnc(OCc3ccccc3)c2n1Cc1ccccc1
Task: retrosynthesis
products: O=C(c1cc(Br)cc(Br)c1)c1ccnc(N2CCOCC2)c1
Answer: C1COCCN1.O=C(c1cc(Br)cc(Br)c1)c1ccnc(Cl)c1
Task: retrosynthesis
products: CC1(COCc2ccccc2)CCCC(=O)C1
Answer: CC1(COCc2ccccc2)CCCC2(C1)OCCO2
Task: retrosynthesis
products: CC1(C)Cc2c(cc(Cl)cc2C(=O)O)NC1c1cccc(N2CCOCC2)c1
Answer: COC(=O)c1cc(Cl)cc2c1CC(C)(C)C(c1cccc(N3CCOCC3)c1)N2
Task: retrosynthesis
products: CCOCc1nc2c(N)nc3cc(O)ccc3c2n1CC(C)(C)NC(=O)NC(C)C
Answer: CCOCc1nc2c(N)nc3cc(OCc4ccccc4)ccc3c2n1CC(C)(C)NC(=O)NC(C)C
Task: retrosynthesis
products: CCOC(=O)c1sc(N2CCOCC2)nc1Cc1ccc(Cl)cc1
Answer: C1COCCN1.CCOC(=O)c1sc(Br)nc1Cc1ccc(Cl)cc1
Task: retrosynthesis
products: Cc1ccc(-c2ccccc2)n1CC1(O)CCN(Cc2ccc[nH]c2=O)CC1
Answer: Cc1ccc(-c2ccccc2)n1CC1(O)CCNCC1.O=Cc1ccc[nH]c1=O
Task: retrosynthesis
products: COc1c(F)cccc1C=O
Answer: CI.O=Cc1cccc(F)c1O
Task: retrosynthesis
products: CCNC(=NS(=O)(=O)c1ccc(O)cc1)N1N=CCC1c1ccccc1
Answer: CCNC(=NS(=O)(=O)c1ccc(OC)cc1)N1N=CCC1c1ccccc1
Task: retrosynthesis
products: Cc1[nH]c(C=C2C(=O)Nc3cccc(-c4ccc(Br)cc4)c32)c(C)c1C(=O)N1CCN(C)CC1
Answer: Cc1[nH]c(C=O)c(C)c1C(=O)N1CCN(C)CC1.O=C1Cc2c(cccc2-c2ccc(Br)cc2)N1
Task: retrosynthesis
products: COC(=O)c1ccc(O)c(C(F)(F)F)c1
Answer: CO.O=C(O)c1ccc(O)c(C(F)(F)F)c1
Task: retrosynthesis
products: CC(=O)N(C)CCN(C)c1nc2ccc(NC(=O)c3ccc(-c4ccc(F)cc4)cc3)cc2s1
Answer: CC(=O)N(C)CCN(C)c1nc2ccc(N)cc2s1.O=C(O)c1ccc(-c2ccc(F)cc2)cc1
Task: retrosynthesis
products: O=C(NCCCCc1ccc(-c2ccc(=O)[nH]n2)cc1)c1cccnc1
Answer: NCCCCc1ccc(-c2ccc(=O)[nH]n2)cc1.O=C(O)c1cccnc1
Task: retrosynthesis
products: CN1CCC(N2CCC(n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)C2)CC1
Answer: CN1CCC(=O)CC1.Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCNC1
Task: retrosynthesis
products: CN(C)CCOc1ccc(Cl)cc1[N+](=O)[O-]
Answer: CN(C)CCCl.O=[N+]([O-])c1cc(Cl)ccc1O
Task: retrosynthesis
products: CC1CNCCc2c(O)cc(=O)[nH]c21
Answer: CC1CN(C(=O)OC(C)(C)C)CCc2c(O)cc(=O)[nH]c21
Task: retrosynthesis
products: CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Answer: CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O.NC(=O)C(N)Cc1c[nH]c2ccccc12
Task: retrosynthesis
products: CN(C)c1cc(Cl)nc(N)n1
Answer: CNC.Nc1nc(Cl)cc(Cl)n1
Task: retrosynthesis
products: NCCOc1ccc(Cn2cccn2)cc1
Answer: O=C1c2ccccc2C(=O)N1CCOc1ccc(Cn2cccn2)cc1
Task: retrosynthesis
products: Cc1ncn(CCC2CSC(c3cc4cc(Cl)cc(NC5CCCC5)c4[nH]3)=N2)c1C(=O)O
Answer: CCOC(=O)c1c(C)ncn1CCC1CSC(c2cc3cc(Cl)cc(NC4CCCC4)c3[nH]2)=N1
Task: retrosynthesis
products: CC(C)S(=O)(=O)c1ccc(-c2cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(-c3cc(-c4ccc(N)cc4)no3)n2)cc1
Answer: CC(C)S(=O)(=O)c1ccc(-c2cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(-c3cc(-c4ccc([N+](=O)[O-])cc4)no3)n2)cc1
Task: retrosynthesis
products: O=C1CCc2cc(OCCCN3CCCC3)ccc2N1
Answer: C1CCNC1.O=C1CCc2cc(OCCCCl)ccc2N1
Task: retrosynthesis
products: CC(C)(C)OC(=O)NC1CCC(Oc2ccc([N+](=O)[O-])cn2)CC1
Answer: CC(C)(C)OC(=O)NC1CCC(O)CC1.O=[N+]([O-])c1ccc(Cl)nc1
Task: retrosynthesis
products: COC(=O)CCCCCCCCCOc1ccc(C(=O)OC(C)(C)C)cc1
Answer: CC(C)(C)OC(=O)c1ccc(O)cc1.COC(=O)CCCCCCCCCBr
Task: retrosynthesis
products: Cc1cc(C=O)[nH]c1C(=O)N1CCOCC1
Answer: C1COCCN1.Cc1cc(C=O)[nH]c1C(=O)O
Task: retrosynthesis
products: CCc1c(C(=O)O)ccn(C2CCN(Cc3cc(C4CC4)c(-c4ccc(F)cc4)cc3OC(C)C)CC2)c1=O
Answer: CCc1c(C(=O)OC)ccn(C2CCN(Cc3cc(C4CC4)c(-c4ccc(F)cc4)cc3OC(C)C)CC2)c1=O
Task: retrosynthesis
products: CC(C)c1noc(N2CCC(C3CC3COCc3ccc(CC(=O)O)cc3F)CC2)n1
Answer: CC(C)c1noc(N2CCC(C3CC3COCc3ccc(CC(=O)OC(C)(C)C)cc3F)CC2)n1
Task: retrosynthesis
products: C=CC=C(C)C1OC(=O)CC(O[Si](CC)(CC)CC)CCC(C)(O)C(OC(C)=O)C=CC1C
Answer: C=CC=C(C)C1OC(=O)CC(O)CCC(C)(O)C(OC(C)=O)C=CC1C.CC[Si](Cl)(CC)CC
Task: retrosynthesis
products: CCS(=O)(=O)c1cccc(-c2cc(C(N)=O)cc3[nH]c4ncc(C)cc4c23)c1
Answer: CCS(=O)(=O)c1cccc(-c2cc(C#N)cc3[nH]c4ncc(C)cc4c23)c1.OO
Task: retrosynthesis
products: CC(C1CCCCC1)N1CCC(CCCOS(C)(=O)=O)(c2ccc(F)cc2)OC1=O
Answer: CC(C1CCCCC1)N1CCC(CCCO)(c2ccc(F)cc2)OC1=O.CS(=O)(=O)Cl
Task: retrosynthesis
products: OCCc1ccccc1C1(O)CCN(Cc2ccccc2)CC1
Answer: O=C1CCN(Cc2ccccc2)CC1.OCCc1ccccc1Br
Task: retrosynthesis
products: Cc1cc(N)cnc1CCCCN
Answer: Cc1cc(N)cnc1CCCC#N
Task: retrosynthesis
products: CCCCCC(=O)Nc1cccc(CON=C(c2ccccc2)c2ncnn2C)n1
Answer: CCCCCC(=O)Cl.Cn1ncnc1C(=NOCc1cccc(N)n1)c1ccccc1
Task: retrosynthesis
products: Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2ccc(Cl)nc2n1
Answer: Cc1cc([N+](=O)[O-])ccc1C(=O)Cl.Nc1ccc2ccc(Cl)nc2n1
Task: retrosynthesis
products: CS(=O)(=O)NCc1ccc(-c2ccc(C(O)C(CF)NC(=O)C(Cl)Cl)cc2)s1
Answer: CS(=O)(=O)Cl.NCc1ccc(-c2ccc(C(O)C(CF)NC(=O)C(Cl)Cl)cc2)s1
Task: retrosynthesis
products: CC(C)(C)OC(=O)N1Cc2c(C(=O)O)c(I)nn2CC12CC2
Answer: CCOC(=O)c1c(I)nn2c1CN(C(=O)OC(C)(C)C)C1(CC1)C2
Task: retrosynthesis
products: CS(=O)(=O)OC1CN(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1
Answer: CS(=O)(=O)Cl.O=C(OCc1ccc([N+](=O)[O-])cc1)N1CC(O)C1
Task: retrosynthesis
products: O=C(Nc1cc(F)cc(C(F)(F)F)c1)Nc1ccc(Cl)c(C(F)(F)F)c1
Answer: Nc1cc(F)cc(C(F)(F)F)c1.O=C=Nc1ccc(Cl)c(C(F)(F)F)c1
Task: retrosynthesis
products: O=Cc1cc(CCc2ccccc2)cc(CCc2ccccc2)c1
Answer: OCc1cc(CCc2ccccc2)cc(CCc2ccccc2)c1
Task: retrosynthesis
products: CN1CCN(CCOc2ccc(Br)c(F)c2)CC1
Answer: CN1CCN(CCO)CC1.Oc1ccc(Br)c(F)c1
Task: retrosynthesis
products: CC(CC(=O)O)(NS(=O)C(C)(C)C)c1ccccc1
Answer: COC(=O)CC(C)(NS(=O)C(C)(C)C)c1ccccc1
Task: retrosynthesis
products: CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(C(C)C)cc(N)cc2C(C)C)c(C(C)C)c1
Answer: CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(C(C)C)cc([N+](=O)[O-])cc2C(C)C)c(C(C)C)c1
Task: retrosynthesis
products: CCOC(=O)c1cccc2cc(O)ccc12
Answer: CCO.O=C(O)c1cccc2cc(O)ccc12
Task: retrosynthesis
products: CC(=O)c1ccc(O)c(C(C)(C)C)c1
Answer: CC(=O)Cl.CC(C)(C)c1ccccc1O
Task: retrosynthesis
products: CC(C)Oc1ccc(-c2nc(-c3cccc4c(-c5cccc(C(=O)O)c5)nccc34)no2)cc1Cl
Answer: CC(C)Oc1ccc(-c2nc(-c3cccc4c(Br)nccc34)no2)cc1Cl.O=C(O)c1cccc(B(O)O)c1
Task: retrosynthesis
products: C=CCn1cnc(-n2nc(C(Nc3ccc(C#N)c(CNC(=O)OC(C)(C)C)c3)c3cc(OC)c(OC)cc3F)[nH]c2=O)c1C(=O)O
Answer: C=CCn1cnc(-n2nc(C(Nc3ccc(C#N)c(CNC(=O)OC(C)(C)C)c3)c3cc(OC)c(OC)cc3F)[nH]c2=O)c1C(=O)OCC
Task: retrosynthesis
products: N#CCOc1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-]
Answer: N#CCO.O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)cc1Cl
Task: retrosynthesis
products: CCn1nc(C)cc1Nc1cc(Nc2ccccc2C(=O)N(C)O)c(Cl)cn1
Answer: CCn1nc(C)cc1Nc1cc(Nc2ccccc2C(=O)O)c(Cl)cn1.CNO
Task: retrosynthesis
products: O=C1CCC(N2C(=O)c3cccc(CNC(=O)c4cccc(F)c4)c3C2=O)C(=O)N1
Answer: NCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(Cl)c1cccc(F)c1
Task: retrosynthesis
products: O=CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1
Answer: O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(CO)CC2)cc1
Task: retrosynthesis
products: O=C(c1ccc2c(c1)[nH]c(=O)c1nnc(-c3ccc(O)cc3)n12)N1CCc2c(Cl)cccc2C1
Answer: COc1ccc(-c2nnc3c(=O)[nH]c4cc(C(=O)N5CCc6c(Cl)cccc6C5)ccc4n23)cc1
Task: retrosynthesis
products: Cc1cc(Nc2ncc(F)c3nn(-c4c(Cl)cc(CO)cc4C#N)cc23)ncn1
Answer: Cc1cc(Nc2ncc(F)c3nn(-c4c(Cl)cc(C=O)cc4C#N)cc23)ncn1