blc-org/A-secret-data-repo huggingface dataset:
Task: retrosynthesis
products: CCCCCCCCCCCCCCCCCCOCCCOCCCCCCBr
Answer: BrCCCCCCBr.CCCCCCCCCCCCCCCCCCOCCCO
Task: retrosynthesis
products: COc1ccc2c(c1)C(C(=O)Nc1ccc(C(C)C)cc1)CCC2
Answer: CC(C)c1ccc(N)cc1.COc1ccc2c(c1)C(C(=O)O)CCC2
Task: retrosynthesis
products: Cc1c(S(=O)(=O)N2CCCOCC2)c(C)n(Cc2cc(-c3ccc(Cl)s3)on2)c1C(=O)O
Answer: CCOC(=O)c1c(C)c(S(=O)(=O)N2CCCOCC2)c(C)n1Cc1cc(-c2ccc(Cl)s2)on1
Task: retrosynthesis
products: CCc1c(C(=O)O)cn2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c12
Answer: CCc1c(C(=O)OC)cn2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c12
Task: retrosynthesis
products: CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(-c2ccc(Cl)cc2)sc1C(=O)O
Answer: COC(=O)c1sc(-c2ccc(Cl)cc2)cc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Task: retrosynthesis
products: COC(=O)c1cnc(Cl)c(N)c1
Answer: COC(=O)c1cnc(Cl)c([N+](=O)[O-])c1
Task: retrosynthesis
products: CC(=O)OCCNc1c(Cl)c(Cl)nc(Cl)c1Cl
Answer: CC(=O)Cl.OCCNc1c(Cl)c(Cl)nc(Cl)c1Cl
Task: retrosynthesis
products: CCOc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1C(=O)O
Answer: CCOc1cc([N+](=O)[O-])ccc1C(=O)O.O=[N+]([O-])[O-]
Task: retrosynthesis
products: CC(C)(C)NS(=O)(=O)c1cccs1
Answer: CC(C)(C)N.O=S(=O)(Cl)c1cccs1
Task: retrosynthesis
products: OCc1cc(C(F)(F)F)ccn1
Answer: CC(=O)OCc1cc(C(F)(F)F)ccn1
Task: retrosynthesis
products: Cc1c2cc(-n3ccc(OCc4ccc(Cl)cc4)cc3=O)ccc2nn1CCO
Answer: Cc1c2cc(-n3ccc(OCc4ccc(Cl)cc4)cc3=O)ccc2nn1CCO[Si](C)(C)C(C)(C)C
Task: retrosynthesis
products: CC1(CO)Cc2nnc(C3(c4ccc(-c5ncccc5F)cc4)CC3)n2CCS1
Answer: CC1(CO[Si](C)(C)C(C)(C)C)Cc2nnc(C3(c4ccc(-c5ncccc5F)cc4)CC3)n2CCS1
Task: retrosynthesis
products: C=CCCCCCCCC(CCCCCCCC=C)OC(=O)CCCBr
Answer: C=CCCCCCCCC(O)CCCCCCCC=C.O=C(Cl)CCCBr
Task: retrosynthesis
products: O=[N+]([O-])c1ccccc1N1CCN(Cc2ccccc2)CC1
Answer: BrCc1ccccc1.O=[N+]([O-])c1ccccc1N1CCNCC1
Task: retrosynthesis
products: O=C(O)c1cc2cc(Cl)cc(CN3CCOCC3)c2[nH]1
Answer: CCOC(=O)c1cc2cc(Cl)cc(CN3CCOCC3)c2[nH]1
Task: retrosynthesis
products: COc1ccc2c(C(=O)NC3CC3)c(C)n(C)c2c1
Answer: COc1ccc2c(C(=O)O)c(C)n(C)c2c1.NC1CC1
Task: retrosynthesis
products: CCCOc1c(Br)ccc2c1CCC(C)N2C(C)=O
Answer: CC(=O)N1c2ccc(Br)c(O)c2CCC1C.CCCBr
Task: retrosynthesis
products: Cn1ccc2ncnc(Oc3ccc(N)cc3F)c21
Answer: Cn1ccc2ncnc(Oc3ccc([N+](=O)[O-])cc3F)c21
Task: retrosynthesis
products: Cc1ccn2nc(C(C)N)n(-c3ccccc3)c(=O)c12
Answer: Cc1ccn2nc(C(C)NC(=O)OC(C)(C)C)n(-c3ccccc3)c(=O)c12
Task: retrosynthesis
products: O=CCCCCOCc1ccccc1
Answer: OCCCCCOCc1ccccc1
Task: retrosynthesis
products: CC(C)(C)OC(=O)NC1(C2CCN(Cc3ccccc3)C2)CC1
Answer: CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.NC1(C2CCN(Cc3ccccc3)C2)CC1
Task: retrosynthesis
products: Fc1ccc(OCC2CC3CNCCN3C2)cc1
Answer: Fc1ccc(OCC2CC3CN(Cc4ccccc4)CCN3C2)cc1
Task: retrosynthesis
products: NCCCCCCC(NC1COc2ccccc2N(CC(=O)O)C1=O)C(=O)O
Answer: CCOC(=O)C(CCCCCCN)NC1COc2ccccc2N(CC(=O)O)C1=O
Task: retrosynthesis
products: COC(=O)c1cccc(-c2cccc(O)c2)c1
Answer: COC(=O)c1cccc(-c2cccc(OC)c2)c1
Task: retrosynthesis
products: CC(C)(C)[Si](C)(C)OCc1cccn2nc(C(F)(F)F)cc12
Answer: CC(C)(C)[Si](C)(C)Cl.OCc1cccn2nc(C(F)(F)F)cc12
Task: retrosynthesis
products: CN(C)c1ccc(N)c(C(=O)NCC2CCN(C(c3ccccc3)c3ccccc3)CC2)c1
Answer: CN(C)c1ccc([N+](=O)[O-])c(C(=O)NCC2CCN(C(c3ccccc3)c3ccccc3)CC2)c1
Task: retrosynthesis
products: Cc1cc(C)c(CNC(=O)c2c(C)n(S(=O)(=O)c3ccccc3)c3ccccc23)c(=O)[nH]1
Answer: Cc1cc(C)c(CNC(=O)c2c(C)[nH]c3ccccc23)c(=O)[nH]1.O=S(=O)(Cl)c1ccccc1
Task: retrosynthesis
products: CCC1CNC(=O)c2cc(-c3cccc4ccc(Nc5ccccc5)nc34)[nH]c21
Answer: CCC1CNC(=O)c2cc(-c3cccc4ccc(Cl)nc34)[nH]c21.Nc1ccccc1
Task: retrosynthesis
products: COc1cc(C(OC(=O)C2CC3CCC2(C)C3(C)C)C(C)(C)C)c([N+](=O)[O-])cc1I
Answer: CC1(C)C2CCC1(C)C(C(=O)Cl)C2.COc1cc(C(O)C(C)(C)C)c([N+](=O)[O-])cc1I
Task: retrosynthesis
products: NC1(C(=O)NC2C3CC4CC(C3)CC2C4)CCCC1
Answer: CC(C)(C)OC(=O)NC1(C(=O)NC2C3CC4CC(C3)CC2C4)CCCC1
Task: retrosynthesis
products: COC(=O)CCC(=NOCc1ccc(OCc2nc(-c3ccco3)oc2C)cc1)c1ccccc1
Answer: COC(=O)CCC(=NOCc1ccc(O)cc1)c1ccccc1.Cc1oc(-c2ccco2)nc1CCl
Task: retrosynthesis
products: Cc1c(C=Cc2ccccc2)oc2cccc(OCCCNCc3cccnc3)c12
Answer: Cc1c(C=Cc2ccccc2)oc2cccc(OCCCN(Cc3cccnc3)C(=O)OC(C)(C)C)c12
Task: retrosynthesis
products: Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(-c3cccc(S(=O)(=O)NCC(F)(F)F)c3)n2)n1
Answer: Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(-c3cccc(S(=O)(=O)Cl)c3)n2)n1.NCC(F)(F)F
Task: retrosynthesis
products: Cc1cccc(-c2cccc(-c3nc(C)cc(Cl)n3)n2)c1
Answer: Cc1cccc(-c2cccc(-c3nc(C)cc(O)n3)n2)c1.O=P(Cl)(Cl)Cl
Task: retrosynthesis
products: Fc1cc(C(F)(F)F)ccc1C=Cc1nc(COc2ccc(-c3nc(Cn4ccnc4)cs3)cc2)co1
Answer: Fc1cc(C(F)(F)F)ccc1C=Cc1nc(CCl)co1.Oc1ccc(-c2nc(Cn3ccnc3)cs2)cc1
Task: retrosynthesis
products: CC(C)(C)OC(=O)N1CCC(CO)CC1
Answer: COC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
Task: retrosynthesis
products: COc1cc2nccc(Oc3ccc(NC(=O)NCc4ccccn4)c(F)c3)c2cc1OC
Answer: COc1cc2nccc(Oc3ccc(N)c(F)c3)c2cc1OC.NCc1ccccn1.O=C(OC(Cl)(Cl)Cl)OC(Cl)(Cl)Cl
Task: retrosynthesis
products: CCCCCCCOc1ccc(C(=O)Oc2ccc(CC(NC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)OC(C)(C)C)cc2OC)cc1
Answer: CCCCCCCOc1ccc(C(=O)Cl)cc1.COc1cc(CC(NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)OC(C)(C)C)ccc1O
Task: retrosynthesis
products: Cc1nc2cc(C(=O)O)cc(Cl)c2[nH]1
Answer: COC(=O)c1cc(Cl)c2[nH]c(C)nc2c1
Task: retrosynthesis
products: CCNC(C)C(=O)NC(C(=O)N1c2ncccc2CC1C(=O)Nc1ccccc1)C1CCCCC1
Answer: CCN(C(=O)OC(C)(C)C)C(C)C(=O)NC(C(=O)N1c2ncccc2CC1C(=O)Nc1ccccc1)C1CCCCC1
Task: retrosynthesis
products: O=C(O)c1cc(Cl)cc2nc(-c3ccccc3)oc12
Answer: COC(=O)c1cc(Cl)cc2nc(-c3ccccc3)oc12
Task: retrosynthesis
products: COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC2OCCN(Cc3ccccc3)C2C1
Answer: COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O.ClCCCN1CC2OCCN(Cc3ccccc3)C2C1
Task: retrosynthesis
products: COc1cc2c(Oc3ccc([N+](=O)[O-])cc3F)ccnc2cc1OCCCN1CCCC1
Answer: COc1cc2c(Cl)ccnc2cc1OCCCN1CCCC1.O=[N+]([O-])c1ccc(O)c(F)c1
Task: retrosynthesis
products: O=[N+]([O-])c1ccc(OCc2ccccc2)c(Cl)c1F
Answer: O=[N+]([O-])c1ccc(F)c(Cl)c1F.OCc1ccccc1
Task: retrosynthesis
products: NCC1Cc2cc3c(cc2O1)CCCC3
Answer: O=C(NCC1Cc2cc3c(cc2O1)CCCC3)OCc1ccccc1
Task: retrosynthesis
products: CC(C)(C)[Si](OCc1cccc(I)c1)(c1ccccc1)c1ccccc1
Answer: CC(C)(C)[Si](Cl)(c1ccccc1)c1ccccc1.OCc1cccc(I)c1
Task: retrosynthesis
products: COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(-c3nc(N4CCOCC4)nc4c3CCN4c3ccnc(N(CCO)C(=O)OC(C)(C)C)c3)cn2)cc1
Answer: COC(=O)CN(C(=O)OC(C)(C)C)c1cc(N2CCc3c(-c4cnc(N(Cc5ccc(OC)cc5)Cc5ccc(OC)cc5)nc4)nc(N4CCOCC4)nc32)ccn1
Task: retrosynthesis
products: Clc1nc(I)ccc1OCc1ccccc1
Answer: BrCc1ccccc1.Oc1ccc(I)nc1Cl
Task: retrosynthesis
products: CC(C)(C)C(=O)c1c(CC(C)(C)C(=O)O)c(C(=O)c2ccc(Cl)cc2)c2ccc(OCc3nc4ccccc4s3)cn12
Answer: CCOC(=O)C(C)(C)Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OCc3nc4ccccc4s3)cn2c1C(=O)C(C)(C)C
Task: retrosynthesis
products: NCC1CCN(CCCC(F)(F)F)CC1
Answer: NC(=O)C1CCN(CCCC(F)(F)F)CC1
Task: retrosynthesis
products: COc1cc(CO[Si](C)(C)C(C)(C)C)ccc1[N+](=O)[O-]
Answer: CC(C)(C)[Si](C)(C)Cl.COc1cc(CO)ccc1[N+](=O)[O-]
Task: retrosynthesis
products: COC(=O)c1ccc(Br)cc1F
Answer: CO.O=C(O)c1ccc(Br)cc1F
Task: retrosynthesis
products: Cc1cc(F)cc(Oc2ccc(C3CCCN4CCS(=O)(=O)N=C34)cc2)c1
Answer: Cc1cc(F)cc(B(O)O)c1.O=S1(=O)CCN2CCCC(c3ccc(O)cc3)C2=N1
Task: retrosynthesis
products: Cc1c(C(Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)C(C)C)oc2ccc(OCC3CC3)cc12
Answer: CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2oc3ccc(OCC4CC4)cc3c2C)C(C)C)cc1
Task: retrosynthesis
products: COc1ccc(N(C)c2nc(NCCN)nc3ccccc23)cc1OC
Answer: COc1ccc(N(C)c2nc(NCCNC(=O)OC(C)(C)C)nc3ccccc23)cc1OC
Task: retrosynthesis
products: COc1cc(OC)c(C(=O)O)cc1Cc1cccc(Cl)c1F
Answer: COC(=O)c1cc(Cc2cccc(Cl)c2F)c(OC)cc1OC
Task: retrosynthesis
products: OB(O)c1ccc(-n2c3ccccc3c3ccccc32)cc1
Answer: Brc1ccc(-n2c3ccccc3c3ccccc32)cc1.COB(OC)OC
Task: retrosynthesis
products: CC(C)NC(=O)c1cnc(OCc2c(-c3ccc(F)cc3)nnn2C)cn1
Answer: CC(C)N.Cn1nnc(-c2ccc(F)cc2)c1COc1cnc(C(=O)O)cn1
Task: retrosynthesis
products: CC1(C)OB(c2cccc(N3CC4CCC(C3)O4)c2)OC1(C)C
Answer: Brc1cccc(N2CC3CCC(C2)O3)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C
Task: retrosynthesis
products: Cc1ccc(C#N)cc1OC1CCN(C(=O)CNC(=O)c2cn(-c3ccccc3)cn2)CC1
Answer: Cc1ccc(C#N)cc1OC1CCNCC1.O=C(O)CNC(=O)c1cn(-c2ccccc2)cn1
Task: retrosynthesis
products: Nc1ccc(C(F)(F)F)cc1I
Answer: II.Nc1ccc(C(F)(F)F)cc1
Task: retrosynthesis
products: CC(C)(C)OC(=O)NC(Cc1ccc(OCCN=[N+]=[N-])cc1)C(=O)O
Answer: COC(=O)C(Cc1ccc(OCCN=[N+]=[N-])cc1)NC(=O)OC(C)(C)C
Task: retrosynthesis
products: Cc1sccc1C(=O)N1CCC(=NO)c2ccc(Cl)cc21
Answer: Cc1sccc1C(=O)N1CCC(=O)c2ccc(Cl)cc21.NO
Task: retrosynthesis
products: Cc1cc(C(C)(C)C)cc(C)c1Br
Answer: BrBr.Cc1cc(C)cc(C(C)(C)C)c1
Task: retrosynthesis
products: Nc1cccc(Cn2cnc3c(-c4ccco4)nc(N)nc32)c1
Answer: Nc1nc(-c2ccco2)c2ncn(Cc3cccc([N+](=O)[O-])c3)c2n1
Task: retrosynthesis
products: O=C(OC1Cn2c(=O)n(-c3cc(Cl)cc(Cl)c3)c(=O)n2C1)c1ccc(Br)cc1
Answer: O=C(O)c1ccc(Br)cc1.O=c1n(-c2cc(Cl)cc(Cl)c2)c(=O)n2n1CC(O)C2
Task: retrosynthesis
products: CN1CC2CCN(c3ccc(-c4ccc(-n5ncccc5=O)cc4)cc3)C2C1
Answer: C=O.O=c1cccnn1-c1ccc(-c2ccc(N3CCC4CNCC43)cc2)cc1
Task: retrosynthesis
products: COCCN1C(=O)CCCc2cc(N)ccc21
Answer: COCCN1C(=O)CCCc2cc([N+](=O)[O-])ccc21
Task: retrosynthesis
products: Cc1cnc(CS(=O)c2nc3ccccc3[nH]2)c(C)c1OCC1COC2(CCC2)OC1
Answer: Cc1cnc(CSc2nc3ccccc3[nH]2)c(C)c1OCC1COC2(CCC2)OC1.O=C(OO)c1cccc(Cl)c1
Task: retrosynthesis
products: COC(=O)c1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1
Answer: CO.O=C(O)c1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1
Task: retrosynthesis
products: CC(O)c1ccc(Cc2c(Cl)cc(N3N=CCNC3=O)cc2Cl)cc1
Answer: CC(=O)c1ccc(Cc2c(Cl)cc(N3N=CCNC3=O)cc2Cl)cc1
Task: retrosynthesis
products: NCC1CC(=O)N(c2ccc3c(n2)NC(=O)CO3)C1
Answer: [N-]=[N+]=NCC1CC(=O)N(c2ccc3c(n2)NC(=O)CO3)C1
Task: retrosynthesis
products: CC(C)(C)OC(=O)N1CCC(C)(C(=O)O)C1
Answer: COC(=O)C1(C)CCN(C(=O)OC(C)(C)C)C1
Task: retrosynthesis
products: Nc1ccc2c(c1)C(NC(=O)c1ccc(-c3ccccc3)cc1)C(O)C2
Answer: O=C(NC1c2cc([N+](=O)[O-])ccc2CC1O)c1ccc(-c2ccccc2)cc1
Task: retrosynthesis
products: O=S(CC(Cn1ccnc1)OCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
Answer: Clc1ccc(SCC(Cn2ccnc2)OCc2ccc(Cl)cc2Cl)cc1.O=C(OO)c1cccc(Cl)c1
Task: retrosynthesis
products: CCn1c2ccccc2c2cc(NC(=O)CC(C)CC(=O)Nc3ccc(C#N)c(OC)c3)ccc21
Answer: CCn1c2ccccc2c2cc(N)ccc21.COc1cc(NC(=O)CC(C)CC(=O)O)ccc1C#N
Task: retrosynthesis
products: COC(=O)CCc1ccc(SC)cc1
Answer: CO.CSc1ccc(CCC(=O)O)cc1
Task: retrosynthesis
products: OCC1CN(Cc2ccccc2)CCO1
Answer: CC(=O)OCC1CN(Cc2ccccc2)CCO1
Task: retrosynthesis
products: CN1CCN(Cc2ccc3c(c2)ncn3-c2nc(-c3cccc(Cl)c3)c(C(=O)O)s2)CC1
Answer: CCOC(=O)c1sc(-n2cnc3cc(CN4CCN(C)CC4)ccc32)nc1-c1cccc(Cl)c1
Task: retrosynthesis
products: N#Cc1cccc(-c2cccc(N)c2)c1
Answer: N#Cc1cccc(B(O)O)c1.Nc1cccc(Br)c1
Task: retrosynthesis
products: CC(C)(C)C(NC(=O)c1cc2ccccc2[nH]1)C(=O)N1CC2CC1CN2C(=O)c1ccc(Br)cn1
Answer: CC(C)(C)C(NC(=O)c1cc2ccccc2[nH]1)C(=O)N1CC2CC1CN2.O=C(O)c1ccc(Br)cn1
Task: retrosynthesis
products: CNC(=O)Cn1c(=O)n(C)c2nc(-c3ccccc3)ncc21
Answer: CN.Cn1c(=O)n(CC(=O)O)c2cnc(-c3ccccc3)nc21
Task: retrosynthesis
products: CC(C)(C)OC(=O)NCc1cccc2c1C1(CCN(Cc3ccccc3)C1)CN2
Answer: CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.NCc1cccc2c1C1(CCN(Cc3ccccc3)C1)CN2
Task: retrosynthesis
products: CCC(C#N)(CCC(=O)O)c1ccc(N)cc1
Answer: CCC(C#N)(CCC(=O)OC)c1ccc(N)cc1
Task: retrosynthesis
products: CS(=O)(=O)c1ccc(-c2c(Br)c3cccccc-3c2-c2ccccc2)cc1
Answer: CS(=O)(=O)c1ccc(-c2cc3cccccc-3c2-c2ccccc2)cc1.O=C1CCC(=O)N1Br
Task: retrosynthesis
products: Oc1ccc(CCN2CCC(Cc3nc4c(O)ncnc4n3Cc3ccc(F)cc3)CC2)cc1
Answer: COc1ccc(CCN2CCC(Cc3nc4c(O)ncnc4n3Cc3ccc(F)cc3)CC2)cc1
Task: retrosynthesis
products: CC(=O)N1CCN(c2nc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3n2CC(C)C)CC1C
Answer: CC(=O)OC(C)=O.CC(C)Cn1c(N2CCNC(C)C2)nc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc21
Task: retrosynthesis
products: CC1CN(c2nnc(-c3ccc(F)cc3)c3ccccc23)CCN1C(=O)OC(C)(C)C
Answer: CC1CNCCN1C(=O)OC(C)(C)C.Fc1ccc(-c2nnc(Cl)c3ccccc23)cc1
Task: retrosynthesis
products: Cn1cncc1C(O)(c1ccc(Cl)nc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C
Answer: CI.Cn1cncc1C(O)(c1ccc(Cl)nc1)c1ccc2[nH]c(=O)cc(-c3cccc(Cl)c3)c2c1
Task: retrosynthesis
products: CC1C(=O)NN=C2COc3cc4ccn(C5(C)CN(C(=O)OC(C)(C)C)C5)c4cc3N21
Answer: CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC1C(=O)NN=C2COc3cc4ccn(C5(C)CNC5)c4cc3N21
Task: retrosynthesis
products: COc1cccc(-c2nc3cc(CO)ccc3nc2-c2ccccc2)c1
Answer: COC(=O)c1ccc2nc(-c3ccccc3)c(-c3cccc(OC)c3)nc2c1
Task: retrosynthesis
products: Cc1nc(C)c(-c2ccc(-c3ccc(CC(=O)NCC(=O)O)cc3Cl)cc2)nc1C(N)=O
Answer: COC(=O)CNC(=O)Cc1ccc(-c2ccc(-c3nc(C(N)=O)c(C)nc3C)cc2)c(Cl)c1
Task: retrosynthesis
products: CC(C)(C)[Si](C)(C)OCc1cnc(Nc2ccccc2)nc1
Answer: CC(C)(C)[Si](C)(C)Cl.OCc1cnc(Nc2ccccc2)nc1
Task: retrosynthesis
products: CC(C)OCc1ccc(Br)cc1
Answer: BrCc1ccc(Br)cc1.CC(C)O
Task: retrosynthesis
products: CCCc1c(OCCCCCC(=O)c2cc(OC)c(OC)c(C(C)C)c2)ccc(C(=O)OC)c1O
Answer: CCCc1c(O)ccc(C(=O)OC)c1O.COc1cc(C(=O)CCCCCBr)cc(C(C)C)c1OC
Task: retrosynthesis
products: COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)O)n1
Answer: COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1
Task: retrosynthesis
products: COc1cc(CC#N)c(CCNCCCO)cc1OC
Answer: CCOC(=O)CCNCCc1cc(OC)c(OC)cc1CC#N
Task: retrosynthesis
products: Nc1ccc(C(=O)N2CCCCc3sccc32)cc1
Answer: O=C(c1ccc([N+](=O)[O-])cc1)N1CCCCc2sccc21
Task: retrosynthesis
products: O=C(O)CCCCCCCCCCCc1ccccc1
Answer: O=C(O)CCCCCCCCCCC(=O)c1ccccc1
Task: retrosynthesis
products: CC(=O)Oc1ccccc1F
Answer: CC(=O)OC(C)=O.Oc1ccccc1F
Task: retrosynthesis
products: O=C(NCC(=O)N1CCC(Oc2ccccc2Cl)CC1)c1ccc(-c2ccccc2)cn1
Answer: Clc1ccccc1OC1CCNCC1.O=C(O)CNC(=O)c1ccc(-c2ccccc2)cn1
Task: retrosynthesis
products: COCC(C)Oc1cc(Oc2ccc(S(C)(=O)=O)nc2)cc(-c2ccc(C(=O)NC(C)C(O)CO[Si](C(C)C)(C(C)C)C(C)C)[nH]2)c1
Answer: CC(N)C(O)CO[Si](C(C)C)(C(C)C)C(C)C.COCC(C)Oc1cc(Oc2ccc(S(C)(=O)=O)nc2)cc(-c2ccc(C(=O)O)[nH]2)c1
Task: retrosynthesis
products: COc1c(NC(=O)Nc2ccc(Oc3ccnc(C(=O)N(C)C)c3)c3ccccc23)cc(C(C)(C)C)cc1NS(C)(=O)=O
Answer: CNC.COc1c(NC(=O)Nc2ccc(Oc3ccnc(C(=O)O)c3)c3ccccc23)cc(C(C)(C)C)cc1NS(C)(=O)=O
Task: retrosynthesis
products: O=C(c1ccccc1)c1ccc(-c2ccccc2)cc1
Answer: O=C(c1ccccc1)c1ccc(Br)cc1.OB(O)c1ccccc1
Task: retrosynthesis
products: CC(C)(C)OC(=O)NCC(=O)N(C1CCCCC1)C1CCN(C(=O)OCc2ccccc2)C1
Answer: CC(C)(C)OC(=O)NCC(=O)O.O=C(OCc1ccccc1)N1CCC(NC2CCCCC2)C1
Task: retrosynthesis
products: O=C(c1ccc([N+](=O)[O-])cc1)c1cccc(CCNc2ccccc2I)c1I
Answer: Ic1ccccc1CCNc1ccccc1I.O=C(Cl)c1ccc([N+](=O)[O-])cc1
Task: retrosynthesis
products: COc1c(C)c(C)c(OC)c(CC=C(C)CCCCOC(C)=O)c1C
Answer: CC(=O)OC(C)=O.COc1c(C)c(C)c(OC)c(CC=C(C)CCCCO)c1C
Task: retrosynthesis
products: CC(C)(C)OC(=O)n1cc(I)c2cc(C#N)ccc21
Answer: CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.N#Cc1ccc2[nH]cc(I)c2c1
Task: retrosynthesis
products: Cc1ccc(OCCc2ccc(C#N)cc2)cc1NS(=O)(=O)c1ccccc1
Answer: Cc1ccc(OCCc2ccc(C#N)cc2)cc1N.O=S(=O)(Cl)c1ccccc1
Task: retrosynthesis
products: N#CCCSc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(SCCC#N)cc1N
Answer: N#CCCSc1cc(N)c(SCCC#N)cc1N.O=C(Cl)c1ccc([N+](=O)[O-])cc1
Task: retrosynthesis
products: COc1cc(OC)cc(S(=O)(=O)c2ccc(N)cc2)c1
Answer: COc1cc(OC)cc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1
Task: retrosynthesis
products: NC(=O)C1CNCCN1CCCC(c1ccc(F)cc1)c1ccc(F)cc1
Answer: NC(=O)C1CN(Cc2ccccc2)CCN1CCCC(c1ccc(F)cc1)c1ccc(F)cc1
Task: retrosynthesis
products: CC(C)(C)OC(=O)NCCC(=O)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1
Answer: CC(C)(C)OC(=O)NCCC(=O)O.c1ccc2c(c1)CC(Nc1ncc3c(n1)CCNC3)C2
Task: retrosynthesis
products: O=C(O)c1ccc(F)c(Cl)n1
Answer: COC(=O)c1ccc(F)c(Cl)n1
Task: retrosynthesis
products: CS(=O)(=O)c1ccc(CCOc2ccc(C=O)cc2)cc1
Answer: CS(=O)(=O)c1ccc(CCO)cc1.O=Cc1ccc(O)cc1
Task: retrosynthesis
products: CCc1c(C(=O)C(N)=O)c2cc(OCCCC(=O)O)ccc2n1Cc1ccccc1
Answer: CCc1c(C(=O)C(N)=O)c2cc(OCCCC(=O)OC(C)(C)C)ccc2n1Cc1ccccc1
Task: retrosynthesis
products: COc1cc([N+](=O)[O-])c(F)cc1C=O
Answer: CI.O=Cc1cc(F)c([N+](=O)[O-])cc1O
Task: retrosynthesis
products: COc1cc(OC)cc(C(=O)NCCCSc2ccncc2)c1
Answer: COc1cc(OC)cc(C(=O)Cl)c1.NCCCSc1ccncc1
Task: retrosynthesis
products: Cc1noc(CC(=O)Nc2ccccc2Cl)n1
Answer: Cc1noc(CC(=O)O)n1.Nc1ccccc1Cl
Task: retrosynthesis
products: Nc1cccc(CC2COc3ccc(OCc4ccc5ccc(Cl)cc5n4)cc3C2)c1
Answer: ClCc1ccc2ccc(Cl)cc2n1.Nc1cccc(CC2COc3ccc(O)cc3C2)c1
Task: retrosynthesis
products: CN1CCCC(N)(c2cccc(Cl)c2)C1
Answer: CN1CC(N)(c2cccc(Cl)c2)CCC1=O
Task: retrosynthesis
products: CC(C)(C)OC(=O)NS(=O)(=O)NCc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2NS(=O)(=O)C2CC2)c1
Answer: CC(C)(C)OC(=O)NS(=O)(=O)NCc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2N)c1.O=S(=O)(Cl)C1CC1
Task: retrosynthesis
products: COc1ccc(C=CC(=O)Nc2ccccc2C(=O)O)cc1O
Answer: COc1ccc(C=CC(=O)Nc2ccccc2C(=O)[O-])cc1O
Task: retrosynthesis
products: CCC(O)(C#Cc1ccc(C(CC)(CC)c2ccc(C(=O)NC(C)(C)C(=O)O)c(C)c2)cc1C)CC
Answer: CCC(O)(C#Cc1ccc(C(CC)(CC)c2ccc(C(=O)NC(C)(C)C(=O)OC)c(C)c2)cc1C)CC
Task: retrosynthesis
products: COc1cc(C)c(Br)cc1OCc1ccccc1
Answer: COc1cc(C)ccc1OCc1ccccc1.O=C1CCC(=O)N1Br
Task: retrosynthesis
products: CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(C=C(OCC)C(=O)O)cc2OCCCC)c1
Answer: CCCCCCCNC(=O)N(C)c1cccc(B(O)O)c1.CCCCOc1cc(C=C(OCC)C(=O)O)ccc1I
Task: retrosynthesis
products: O=C(C1CC2(c3ccccc3)NC1CCC2OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(Cc2ccccc2)CC1
Answer: O=C(O)C1CC2(c3ccccc3)NC1CCC2OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.c1ccc(CN2CCNCC2)cc1
Task: retrosynthesis
products: CN(c1cc(C(=O)NCC(=O)C(C)(Cc2ccccc2)NC(=O)OC(C)(C)C)cc(Cl)n1)S(C)(=O)=O
Answer: CN(c1cc(C(=O)NCC(O)C(C)(Cc2ccccc2)NC(=O)OC(C)(C)C)cc(Cl)n1)S(C)(=O)=O
Task: retrosynthesis
products: CCCc1ccc(C2CCC(CCc3ccc(C=O)cc3)CC2)cc1
Answer: CCCc1ccc(C2CCC(CCc3ccc(CO)cc3)CC2)cc1
Task: retrosynthesis
products: OCc1cc(Cl)ccc1Br
Answer: COC(=O)c1cc(Cl)ccc1Br
Task: retrosynthesis
products: CC(O)CNC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(OC(F)(F)F)cc3s1)n2C
Answer: CC(O)CN.Cn1c(Nc2nc3ccc(OC(F)(F)F)cc3s2)nc2cc(C(=O)O)ccc21
Task: retrosynthesis
products: COc1ccc(OC)c(C=NO)c1
Answer: COc1ccc(OC)c(C=O)c1.NO
Task: retrosynthesis
products: C=CCCCN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1cccc2cc[nH]c12
Answer: C=CCCCNCc1ccc(C(C)(C)C)cc1.O=C(O)c1cccc2cc[nH]c12
Task: retrosynthesis
products: CC(C)n1nc(Oc2c(Br)cc(CCO)cc2Br)ccc1=O
Answer: CC(=O)OCCc1cc(Br)c(Oc2ccc(=O)n(C(C)C)n2)c(Br)c1
Task: retrosynthesis
products: CC(C)(C)[Si](C)(C)OCCCOc1ccc(C(=O)O)cc1
Answer: CC(C)(C)[Si](C)(C)Cl.O=C(O)c1ccc(OCCCO)cc1
Task: retrosynthesis
products: CC(C)(C)C(=O)NC(=O)Nc1ccc(Oc2ccnc(NC(=O)CN3CCCC3)c2)cn1
Answer: CC(C)(C)C(=O)NC(=O)Nc1ccc(Oc2ccnc(N)c2)cn1.O=C(O)CN1CCCC1
Task: retrosynthesis
products: N#CC1(C#N)C2CCC(C2)C1(Cl)Cl
Answer: N#CC1(C#N)C2C=CC(C2)C1(Cl)Cl
Task: retrosynthesis
products: O=C(O)c1cc2cccc([N+](=O)[O-])c2s1
Answer: COC(=O)c1cc2cccc([N+](=O)[O-])c2s1
Task: retrosynthesis
products: O=C(O)C(Cc1ccccc1)Oc1ccc2cc(-c3ccc(-c4ccccc4)n3Cc3ccccc3)ccc2c1
Answer: COC(=O)C(Cc1ccccc1)Oc1ccc2cc(-c3ccc(-c4ccccc4)n3Cc3ccccc3)ccc2c1
Task: retrosynthesis
products: Cc1ccc(S(=O)(=O)OC2COc3ccc4ncccc4c3C2)cc1
Answer: Cc1ccc(S(=O)(=O)Cl)cc1.OC1COc2ccc3ncccc3c2C1
Task: retrosynthesis
products: FC1(F)CCN(CCCl)CC1
Answer: ClCCBr.FC1(F)CCNCC1
Task: retrosynthesis
products: COC(=O)CCCCNC(=O)C=C1c2ccccc2-c2ccccc21
Answer: COC(=O)CCCCN.O=C(O)C=C1c2ccccc2-c2ccccc21
Task: retrosynthesis
products: COC(=O)c1cc(SC)ccc1Cl
Answer: CI.CSc1ccc(Cl)c(C(=O)O)c1
Task: retrosynthesis
products: N#Cc1cc(N)ccc1OC1CCCCC1
Answer: N#Cc1cc([N+](=O)[O-])ccc1OC1CCCCC1
Task: retrosynthesis
products: CCOC(=O)c1c(Cl)ccc2c1CCNCC2
Answer: CCOC(=O)c1c(Cl)ccc2c1CCN(C(=O)C(F)(F)F)CC2
Task: retrosynthesis
products: O=C(O)c1cccc(Cn2c(=O)[nH]c(=O)c3ccccc32)c1
Answer: COC(=O)c1cccc(Cn2c(=O)[nH]c(=O)c3ccccc32)c1
Task: retrosynthesis
products: Oc1ccc2occc2c1
Answer: COc1ccc2occc2c1
Task: retrosynthesis
products: OCC(O)CCc1ccc2ccccc2c1O
Answer: OCC(O)CCc1ccc2ccccc2c1OCc1ccccc1
Task: retrosynthesis
products: CC(C)c1ccc(CO)cc1S(C)(=O)=O
Answer: CC(C)c1ccc(C(=O)O)cc1S(C)(=O)=O
Task: retrosynthesis
products: COc1ccccc1SCC(C=O)OC
Answer: COc1ccccc1SCC(CO)OC
Task: retrosynthesis
products: O=C(O)CC(NC(=O)Cn1cccc(NC(=O)OCc2ccccc2)c1=O)C(=O)COC(=O)c1c(Cl)cccc1Cl
Answer: CC(C)(C)OC(=O)CC(NC(=O)Cn1cccc(NC(=O)OCc2ccccc2)c1=O)C(=O)COC(=O)c1c(Cl)cccc1Cl
Task: retrosynthesis
products: Cc1nc(C(=O)O)ccc1OC(C)C
Answer: COC(=O)c1ccc(OC(C)C)c(C)n1
Task: retrosynthesis
products: CC(Nc1ncnc2[nH]cnc12)c1nc2ccccc2n1C1CCN(C(=O)CN(C)C)CC1
Answer: CC(Nc1ncnc2[nH]cnc12)c1nc2ccccc2n1C1CCNCC1.CN(C)CC(=O)O
Task: retrosynthesis
products: O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(C(F)(F)F)c2cccnc12
Answer: Nc1ccc(C(F)(F)F)c2cccnc12.O=[N+]([O-])c1ccccc1S(=O)(=O)Cl
Task: retrosynthesis
products: CCOC(=O)C(C)(C)Oc1ccc(OCCCC#Cc2ccc(OC(F)(F)F)cc2)cc1C
Answer: C#CCCCOc1ccc(OC(C)(C)C(=O)OCC)c(C)c1.FC(F)(F)Oc1ccc(I)cc1
Task: retrosynthesis
products: CCCC1CC1COc1cc(C)c([N+](=O)[O-])cc1C
Answer: CCCC1CC1CO.Cc1cc([N+](=O)[O-])c(C)cc1O
Task: retrosynthesis
products: Cc1ccc2c(c1)c1c(n2Cc2ccccc2)CCN(C)C1
Answer: Cc1ccc2[nH]c3c(c2c1)CN(C)CC3.ClCc1ccccc1
Task: retrosynthesis
products: COC(=O)c1ccccc1S
Answer: CO.O=C(O)c1ccccc1S
Task: retrosynthesis
products: CCN1CCN(c2ccc(Nc3cc(NC)ncn3)c([N+](=O)[O-])c2)CC1
Answer: CCN1CCN(c2ccc(N)c([N+](=O)[O-])c2)CC1.CNc1cc(Cl)ncn1
Task: retrosynthesis
products: CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n(CC(C)=NOC)c2nc(C)nn12
Answer: CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n(CC(C)=O)c2nc(C)nn12.CON
Task: retrosynthesis
products: CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n(C2CCC(OCC(=O)C(C)C)CC2)c2ccnn12
Answer: CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n(C2CCC(OCC(O)C(C)C)CC2)c2ccnn12
Task: retrosynthesis
products: CCOC(=O)C(C)(C)Sc1ncccc1-c1ccc(C#N)c2ccccc12
Answer: CC1(C)OB(c2ccc(C#N)c3ccccc23)OC1(C)C.CCOC(=O)C(C)(C)Sc1ncccc1Br
Task: retrosynthesis
products: COc1ccc(COc2ccc(Sc3ccc(O)cc3)c(N)c2)cc1
Answer: COc1ccc(COc2ccc(Sc3ccc(O)cc3)c([N+](=O)[O-])c2)cc1
Task: retrosynthesis
products: O=[N+]([O-])c1ccc(Cl)nc1NCc1c(Cl)cccc1Cl
Answer: NCc1c(Cl)cccc1Cl.O=[N+]([O-])c1ccc(Cl)nc1Cl
Task: retrosynthesis
products: O=C(CCCN1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1
Answer: O=C(CCCCl)c1ccccc1.O=C(NC1CCNCC1)c1ccccc1
Task: retrosynthesis
products: CC(CO)CCNC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(OC(F)(F)F)cc3s1)n2C
Answer: CC(CO)CCN.Cn1c(Nc2nc3ccc(OC(F)(F)F)cc3s2)nc2cc(C(=O)O)ccc21
Task: retrosynthesis
products: COc1ccc(CNc2ncccc2CNC2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1
Answer: CC(C)(C)OC(=O)N1CCC(=O)CC1.COc1ccc(CNc2ncccc2CN)c(OC)c1
Task: retrosynthesis
products: Oc1ccc2cc(C3(O)CCN(Cc4ccccc4)CC3)ccc2c1
Answer: O=C1CCN(Cc2ccccc2)CC1.Oc1ccc2cc(Br)ccc2c1
Task: retrosynthesis
products: COc1cc2oc(=O)c(C)c(C)c2cc1OCCCN1CCN(c2ccccc2)CC1
Answer: COc1cc2oc(=O)c(C)c(C)c2cc1OCCCOS(C)(=O)=O.c1ccc(N2CCNCC2)cc1
Task: retrosynthesis
products: CC(C)S(=O)(=O)NC1CCCCC1O
Answer: CC(C)S(=O)(=O)NC1CCCCC1OCc1ccccc1
Task: retrosynthesis
products: N#Cc1ccc(OCc2ccccc2C(=O)O)c(F)c1
Answer: COC(=O)c1ccccc1COc1ccc(C#N)cc1F
Task: retrosynthesis
products: [O-][n+]1ccc(-c2nc3cc(C(F)(F)F)ccc3o2)cc1
Answer: FC(F)(F)c1ccc2oc(-c3ccncc3)nc2c1.O=C(OO)c1cccc(Cl)c1
Task: retrosynthesis
products: Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1cccc(OC(C)(C)C(=O)O)c1
Answer: CCOC(=O)C(C)(C)Oc1cccc(OCCc2nc(-c3ccc(-c4ccccc4)cc3)oc2C)c1
Task: retrosynthesis
products: CCCc1nc(CC)n(-c2ccccc2)c(=O)c1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
Answer: CCCc1nc(CC)n(-c2ccccc2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1.O=C([O-])O.[NH3+]O
Task: retrosynthesis
products: O=C(Cc1cccnc1Cl)N(CCO)Cc1ccccc1
Answer: O=C(O)Cc1cccnc1Cl.OCCNCc1ccccc1
Task: retrosynthesis
products: CCc1cc(C(=O)NCc2cccc(O)c2)sc1C(=O)NC(CNC(=O)c1cccs1)C(=O)OC
Answer: CCc1cc(C(=O)NCc2cccc(O)c2)sc1C(=O)NC(CN)C(=O)OC.O=C(O)c1cccs1
Task: retrosynthesis
products: COc1ccc(C(=O)NCc2ccccc2)c2c1oc1ccc(N)cc12
Answer: COc1ccc(C(=O)NCc2ccccc2)c2c1oc1ccc([N+](=O)[O-])cc12
Task: retrosynthesis
products: C1CC(N2CCNCC2)C1
Answer: CC(C)(C)OC(=O)N1CCN(C2CCC2)CC1
Task: retrosynthesis
products: OCCOc1ccc2c(c1)C(=CCCN1CCC(O)(c3ccc(Cl)cc3)CC1)c1cccnc1CO2
Answer: CC(=O)OCCOc1ccc2c(c1)C(=CCCN1CCC(O)(c3ccc(Cl)cc3)CC1)c1cccnc1CO2
Task: retrosynthesis
products: CC1(C)Oc2ccc(Cl)cc2C(CS(=O)(=O)NCC(=O)NCCc2ccccc2)C1O
Answer: CC1(C)Oc2ccc(Cl)cc2C(CS(=O)(=O)NCC(=O)O)C1O.NCCc1ccccc1
Task: retrosynthesis
products: CN(C)C1CCN(c2nc(-c3cc(Cl)ccc3OC(F)F)c(NC(=O)c3cnn4cccnc34)s2)CC1
Answer: CN(C)C1CCNCC1.O=C(Nc1sc(Br)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12
Task: retrosynthesis
products: COCOC(C(Cc1ccccc1)NC(=O)C(NC(=O)OCc1ccccc1)C(C)C)C(Cc1ccccc1)NC(=O)C(NC(=O)OCc1ccccc1)C(C)C
Answer: CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(O)C(Cc1ccccc1)NC(=O)C(NC(=O)OCc1ccccc1)C(C)C.COCCl
Task: retrosynthesis
products: O=C(NCc1cccc(C(F)(F)F)c1)c1ccnc(-c2cc(N3CCCCC3)ccc2NC(=O)c2cccc(CN3CCCNCC3)n2)c1
Answer: CC(C)(C)OC(=O)N1CCCN(Cc2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3-c3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccn3)n2)CC1
Task: retrosynthesis
products: O=C1CC(C(=O)OCc2ccccc2)N(C(=O)OCc2ccccc2)C1
Answer: BrCc1ccccc1.O=C1CC(C(=O)O)N(C(=O)OCc2ccccc2)C1