blc-org/A-secret-data-repo huggingface dataset:
Task: retrosynthesis
products: CC(C)S(=O)(=O)NC1Cc2ccc(Cc3cc(CO)cc(C(F)(F)F)c3)cc2C1
Answer: COC(=O)c1cc(Cc2ccc3c(c2)CC(NS(=O)(=O)C(C)C)C3)cc(C(F)(F)F)c1
Task: retrosynthesis
products: CCCCCCCCCC(C)=CCCCC(=O)OC
Answer: CCCCCCCCCC(C)=CCCCC(=O)O.CO
Task: retrosynthesis
products: Nc1cc(N)cc(N)c1
Answer: Nc1cc(N)cc([N+](=O)[O-])c1
Task: retrosynthesis
products: CS(=O)(=O)c1nc2cc(C(=O)O)ccc2n1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
Answer: COC(=O)c1ccc2c(c1)nc(S(C)(=O)=O)n2NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
Task: retrosynthesis
products: Cn1c(=O)cc(Cl)n(-c2ccccc2)c1=O
Answer: Cn1c(=O)cc(O)n(-c2ccccc2)c1=O.O=P(Cl)(Cl)Cl
Task: retrosynthesis
products: CC1(C)OB(c2cccc(OC3CC3)c2)OC1(C)C
Answer: Brc1cccc(OC2CC2)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C
Task: retrosynthesis
products: CC(C)Oc1cc2c(cc1Br)C(C)CN(C(=O)C(F)(F)F)CC2
Answer: CC(C)Br.CC1CN(C(=O)C(F)(F)F)CCc2cc(O)c(Br)cc21
Task: retrosynthesis
products: Nc1ccc(C2CC2)c2ccccc12
Answer: O=[N+]([O-])c1ccc(C2CC2)c2ccccc12
Task: retrosynthesis
products: CON(C)C(=O)C(C)(O)C(C)C
Answer: CC(C)C(C)(O)C(=O)O.CNOC
Task: retrosynthesis
products: CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(C3CCN(CC(=O)N(C)C)CC3O)cc1OCC2
Answer: CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(C3CCNCC3O)cc1OCC2.CN(C)C(=O)CCl
Task: retrosynthesis
products: COc1c(-c2ccc3ccccc3c2)cc(CCC(=O)O)cc1[N+](=O)[O-]
Answer: COC(=O)CCc1cc(-c2ccc3ccccc3c2)c(OC)c([N+](=O)[O-])c1
Task: retrosynthesis
products: CC(=O)CCCCCCCCCn1c(=O)c2c(ncn2C)n(C)c1=O
Answer: CC(O)CCCCCCCCCn1c(=O)c2c(ncn2C)n(C)c1=O
Task: retrosynthesis
products: O=C(NC1Cc2ccc(Br)cc2C1)OCc1ccccc1
Answer: NC1Cc2ccc(Br)cc2C1.O=C(Cl)OCc1ccccc1
Task: retrosynthesis
products: CC1(C)C(C=C(c2ccccc2)C(F)(F)F)C1C(=O)O
Answer: CCOC(=O)C1C(C=C(c2ccccc2)C(F)(F)F)C1(C)C
Task: retrosynthesis
products: CC(C)(C)OC(=O)N1CCC(COc2cccc(OS(=O)(=O)c3ccccc3Cl)c2)CC1
Answer: CC(C)(C)OC(=O)N1CCC(COS(C)(=O)=O)CC1.O=S(=O)(Oc1cccc(O)c1)c1ccccc1Cl
Task: retrosynthesis
products: CCCc1cc(N2CCN(CCOC(C)=O)CC2)ncc1C(O)(C(F)(F)F)C(F)(F)F
Answer: CC(=O)O.CCCc1cc(N2CCN(CCO)CC2)ncc1C(O)(C(F)(F)F)C(F)(F)F
Task: retrosynthesis
products: Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCC2CCOC2)cn1
Answer: Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)O)cn1.NCC1CCOC1
Task: retrosynthesis
products: Cc1ncncc1C(=O)O
Answer: CCOC(=O)c1cncnc1C
Task: retrosynthesis
products: Cc1nc(OCC(=O)N(C)C2CCNCC2)nc(C)c1NC(=O)OC(C)(C)C
Answer: Cc1nc(OCC(=O)N(C)C2CCN(Cc3ccccc3)CC2)nc(C)c1NC(=O)OC(C)(C)C
Task: retrosynthesis
products: CON(C)C(=O)c1ccc(Br)c(F)c1
Answer: CNOC.O=C(O)c1ccc(Br)c(F)c1
Task: retrosynthesis
products: Cn1nnc2cc(C(=O)NC3CCCn4c3nc(-c3ccncc3)cc4=O)ccc21
Answer: Cn1nnc2cc(C(=O)Cl)ccc21.NC1CCCn2c1nc(-c1ccncc1)cc2=O
Task: retrosynthesis
products: CC(=O)Nc1nn(CC(=O)Nc2cccc(F)c2)cc1N
Answer: CC(=O)Nc1nn(CC(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-]
Task: retrosynthesis
products: O=C(NCCCCc1ccc(OCCNCc2ccccc2)cc1)OCc1ccccc1
Answer: NCCOc1ccc(CCCCNC(=O)OCc2ccccc2)cc1.O=Cc1ccccc1
Task: retrosynthesis
products: COC(Cc1cc(Br)ccc1NC1CC2CCC(C1)N2C)OC
Answer: CN1C2CCC1CC(=O)C2.COC(Cc1cc(Br)ccc1N)OC
Task: retrosynthesis
products: COc1cc(Nc2nc(COCC(F)(F)F)cc(NC(C)C)n2)ccc1-c1cnnc(C)c1
Answer: CC(C)Nc1cc(COCC(F)(F)F)nc(Cl)n1.COc1cc(N)ccc1-c1cnnc(C)c1
Task: retrosynthesis
products: O=C(O)c1ccc(Oc2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1
Answer: O=C(O)c1ccc(Cl)c([N+](=O)[O-])c1.Oc1ccc(OCc2ccccc2)cc1
Task: retrosynthesis
products: COc1cc(O)ccc1-c1ccc2c(c1COc1cc(F)ccc1C)N(C)C(=O)C(C)(C)N2
Answer: COCOc1ccc(-c2ccc3c(c2COc2cc(F)ccc2C)N(C)C(=O)C(C)(C)N3)c(OC)c1
Task: retrosynthesis
products: CC(=O)Nc1ccc(CCN2CCN(c3nsc4ccccc34)CC2)cc1F
Answer: CC(=O)Nc1ccc(CCBr)cc1F.c1ccc2c(N3CCNCC3)nsc2c1
Task: retrosynthesis
products: CC(C)CCN1C(=O)C2(COc3cc(O)ccc32)c2ccccc21
Answer: CC(C)CCN1C(=O)C2(COc3cc(OCc4ccccc4)ccc32)c2ccccc21
Task: retrosynthesis
products: CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CCC4O[Si](C)(C)C(C)(C)C)s2)cc1C#N
Answer: CC(C)(C)[Si](C)(C)OC1CCc2c(-c3cnc(-c4ccc(F)c(C#N)c4)s3)cccc21.CC(C)O
Task: retrosynthesis
products: CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cc4nccc(Oc5ccc(NC(=O)NC6CC6)cc5F)c4s3)nc2)CC1
Answer: CC(C)(C)OC(=O)N1CCNCC1.O=Cc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)NC5CC5)cc4F)c3s2)nc1
Task: retrosynthesis
products: COCCOc1c(C)cc(C=O)cc1C
Answer: COCCBr.Cc1cc(C=O)cc(C)c1O
Task: retrosynthesis
products: O=C(O)CCCCON=C(c1cccnc1)c1cccc(C(F)(F)F)c1
Answer: CCOC(=O)CCCCON=C(c1cccnc1)c1cccc(C(F)(F)F)c1
Task: retrosynthesis
products: Cc1c[nH]c2ccc(Oc3ccnc4cc(OCCCN5CCCC5)c(C#N)cc34)cc12
Answer: Cc1c[nH]c2ccc(O)cc12.N#Cc1cc2c(Cl)ccnc2cc1OCCCN1CCCC1
Task: retrosynthesis
products: Cc1cc(NS(=O)(=O)c2cccc(Cl)c2)c2c(C)c(-c3cccnc3)sc2n1
Answer: Cc1cc(N)c2c(C)c(-c3cccnc3)sc2n1.O=S(=O)(Cl)c1cccc(Cl)c1
Task: retrosynthesis
products: COc1cc(C(=O)NC2CCN(CCCS(C)(=O)=O)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C
Answer: CN1C(=O)C(F)(F)CN(C2CCCC2)c2nc(Cl)ncc21.COc1cc(C(=O)NC2CCN(CCCS(C)(=O)=O)CC2)ccc1N
Task: retrosynthesis
products: CCc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Oc1ccc(N)cn1
Answer: CCc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Oc1ccc([N+](=O)[O-])cn1
Task: retrosynthesis
products: O=[N+]([O-])c1cccc(CBr)c1F
Answer: BrP(Br)Br.O=[N+]([O-])c1cccc(CO)c1F
Task: retrosynthesis
products: O=C(O)c1cc2c([nH]1)CCC2Cc1cccc(-c2ccco2)c1
Answer: COC(=O)c1cc2c([nH]1)CCC2Cc1cccc(-c2ccco2)c1
Task: retrosynthesis
products: CCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)cn(C)c12
Answer: CCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)c[nH]c12.CI
Task: retrosynthesis
products: O=C1NC(=O)C(=Cc2cccc(N3CCCCC3)n2)S1
Answer: C1CCNCC1.O=C1NC(=O)C(=Cc2cccc(Br)n2)S1
Task: retrosynthesis
products: CN1C(=O)CCc2cc(-c3cncc(NCCO)c3)ccc21
Answer: CN1C(=O)CCc2cc(-c3cncc(NCCO[Si](C)(C)C(C)(C)C)c3)ccc21
Task: retrosynthesis
products: CCCCC(C=O)CCCCCO[Si](C)(C)C(C)(C)C
Answer: CCCCC(CO)CCCCCO[Si](C)(C)C(C)(C)C
Task: retrosynthesis
products: ClCCCC#CC1CCNCC1
Answer: CC(C)(C)OC(=O)N1CCC(C#CCCCCl)CC1
Task: retrosynthesis
products: COC(=O)c1cc(SC(=O)N(C)C)cc(C(=O)O)c1
Answer: COC(=O)c1cc(SC(=O)N(C)C)cc(C(=O)OC)c1
Task: retrosynthesis
products: CCCCCCCCCCCCCCCCCCOC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)COS(=O)(=O)c1ccc(C)cc1
Answer: CCCCCCCCCCCCCCCCCCOC(CO)COC(c1ccccc1)(c1ccccc1)c1ccccc1.Cc1ccc(S(=O)(=O)Cl)cc1
Task: retrosynthesis
products: N#Cc1ccc2oc(CO)cc2c1
Answer: N#C[Cu].OCc1cc2cc(Br)ccc2o1
Task: retrosynthesis
products: COc1cc(OC)cc(C(=O)c2cccc(OCc3ccccc3)c2)c1
Answer: COc1cc(OC)cc(C(O)c2cccc(OCc3ccccc3)c2)c1
Task: retrosynthesis
products: COC1=C(OC)C(=O)C(Cc2ccc(OCc3ccccc3)c(C(=O)N3CCOCC3)c2)=C(C)C1=O
Answer: C1COCCN1.COC1=C(OC)C(=O)C(Cc2ccc(OCc3ccccc3)c(C(=O)O)c2)=C(C)C1=O
Task: retrosynthesis
products: CC(=O)Nc1ccnn1-c1c(F)cc(C(F)(F)F)cc1Cl
Answer: CC(=O)O.Nc1ccnn1-c1c(F)cc(C(F)(F)F)cc1Cl
Task: retrosynthesis
products: O=[N+]([O-])c1ccc(N2CCOCC2)cc1Cl
Answer: C1COCCN1.O=[N+]([O-])c1ccc(F)cc1Cl
Task: retrosynthesis
products: CC(=NO)c1cccc2ccccc12
Answer: CC(=O)c1cccc2ccccc12.NO
Task: retrosynthesis
products: O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)Oc1c(F)c(F)c(F)c(F)c1F
Answer: O=C(O)CCNC(=O)OCC1c2ccccc2-c2ccccc21.Oc1c(F)c(F)c(F)c(F)c1F
Task: retrosynthesis
products: COc1c(Br)cc(F)c(N)c1Br
Answer: COc1c(Br)cc(F)c([N+](=O)[O-])c1Br
Task: retrosynthesis
products: CCCCCCCCCC#Cc1cccc(C=O)c1
Answer: C#CCCCCCCCCC.O=Cc1cccc(Br)c1
Task: retrosynthesis
products: CCCCC12CCC(=O)C=C1c1ccc(O)c(C)c1C2
Answer: CCCCC12CCC(=O)C=C1c1ccc(OC)c(C)c1C2
Task: retrosynthesis
products: CS(=O)(=O)N1CC(SC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1COCc1ccccc1
Answer: BrCc1ccccc1.CS(=O)(=O)N1CC(SC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1CO
Task: retrosynthesis
products: COCN(c1cccc2cc(C(=O)O)n(COC)c12)S(=O)(=O)c1cccs1
Answer: CCOC(=O)c1cc2cccc(N(COC)S(=O)(=O)c3cccs3)c2n1COC
Task: retrosynthesis
products: COc1ccc2c(c1)Sc1c(cc(OC)c(OC)c1Br)N2
Answer: CI.COc1ccc2c(c1)Sc1c(cc(OC)c(O)c1Br)N2
Task: retrosynthesis
products: COc1ccccc1N1CCN(CCCCN2CS(=O)CC2=O)CC1
Answer: COc1ccccc1N1CCNCC1.O=C1CS(=O)CN1CCCCBr
Task: retrosynthesis
products: CC(=O)OCc1c(Br)cc(F)cc1Br
Answer: CC(=O)Cl.OCc1c(Br)cc(F)cc1Br
Task: retrosynthesis
products: COc1cc(CO)ccc1OCc1nc(-c2ccco2)oc1C
Answer: COc1cc(C=O)ccc1OCc1nc(-c2ccco2)oc1C
Task: retrosynthesis
products: O=C(O)C1CCC(F)(F)C1
Answer: O=C(OCc1ccccc1)C1CCC(F)(F)C1
Task: retrosynthesis
products: Cc1ccc(S(=O)(=O)n2ccc3cc(C=O)cnc32)cc1
Answer: Cc1ccc(S(=O)(=O)Cl)cc1.O=Cc1cnc2[nH]ccc2c1
Task: retrosynthesis
products: Cc1noc(-c2ccc(N3CCC4(COc5ccccc54)C3)nn2)n1
Answer: Cc1noc(-c2ccc(Cl)nn2)n1.c1ccc2c(c1)OCC21CCNC1
Task: retrosynthesis
products: CN1CCN(C(=O)c2ccc3c(n2)CCC2C3=NN(c3ccc(C#N)c(Cl)c3)C2C2CCCC2)CC1
Answer: CN1CCNCC1.N#Cc1ccc(N2N=C3c4ccc(C(=O)O)nc4CCC3C2C2CCCC2)cc1Cl
Task: retrosynthesis
products: CCC=CC(C=O)(CC)CSc1ccccc1C=O
Answer: CCC=CC(C=O)(CC)CSc1ccccc1CO
Task: retrosynthesis
products: CCOC(=O)c1[nH]c(C)c(C)c1OCCCl
Answer: CCOC(=O)c1[nH]c(C)c(C)c1O.ClCCBr
Task: retrosynthesis
products: CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCN(Cc3ccnc(C#N)c3)C4)n[nH]c2c1
Answer: CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCNC4)n[nH]c2c1.N#Cc1cc(C=O)ccn1
Task: retrosynthesis
products: COc1ccc(C(=O)c2cccc(CCCC(=O)O)c2C)cc1
Answer: CO.Cc1c(CCCC(=O)O)cccc1C(=O)c1ccc(Cl)cc1
Task: retrosynthesis
products: CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)O
Answer: COC(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
Task: retrosynthesis
products: Clc1ccc(Br)cc1COc1ccccc1
Answer: ClCc1cc(Br)ccc1Cl.Oc1ccccc1
Task: retrosynthesis
products: CCCCC12Cc3cc(O)ccc3C1=C(C)C(=O)C(CC=O)C2
Answer: CCCCC12Cc3cc(OCOC)ccc3C1=C(C)C(=O)C(CC=O)C2
Task: retrosynthesis
products: CCCc1nn(-c2ccc(O)cc2)c(-c2c(C)noc2C)c1C#N
Answer: CCCc1nn(-c2ccc(OC)cc2)c(-c2c(C)noc2C)c1C#N
Task: retrosynthesis
products: CCNc1c([N+](=O)[O-])cnc2ccccc12
Answer: CCN.O=[N+]([O-])c1cnc2ccccc2c1Cl
Task: retrosynthesis
products: CCOC(=O)C1CCn2c(cc3ccccc32)C1OC(C)=O
Answer: CC(=O)OC(C)=O.CCOC(=O)C1CCn2c(cc3ccccc32)C1O
Task: retrosynthesis
products: OCCn1cc2c(n1)CCc1c-2sc2ncnc(Nc3ccc(OCc4ccccc4)c(Cl)c3)c12
Answer: CC(C)(C)[Si](C)(C)OCCn1cc2c(n1)CCc1c-2sc2ncnc(Nc3ccc(OCc4ccccc4)c(Cl)c3)c12
Task: retrosynthesis
products: CC1CN(C(=O)OCc2ccccc2)CC1(CC(=O)OC(C)(C)C)C(=O)O
Answer: CC1CNCC1(CC(=O)OC(C)(C)C)C(=O)O.O=C(Cl)OCc1ccccc1
Task: retrosynthesis
products: Cc1c(-c2ccc(S(N)(=O)=O)cc2)c(C(=O)O)n(C)c1-c1ccc(Cl)cc1
Answer: COC(=O)c1c(-c2ccc(S(N)(=O)=O)cc2)c(C)c(-c2ccc(Cl)cc2)n1C
Task: retrosynthesis
products: CCNC(=O)C(O)c1ccc(-c2noc(-c3cnn(-c4ccccc4)c3C(F)(F)F)n2)cc1
Answer: CCN.O=C(O)C(O)c1ccc(-c2noc(-c3cnn(-c4ccccc4)c3C(F)(F)F)n2)cc1
Task: retrosynthesis
products: O=Cc1cccc2[nH]ccc12
Answer: OCc1cccc2[nH]ccc12
Task: retrosynthesis
products: CCOC(=O)Cn1ncc2c1CCCC2NC(=O)OCc1ccccc1
Answer: CCOC(=O)Cn1ncc2c1CCCC2N.O=C(Cl)OCc1ccccc1
Task: retrosynthesis
products: O=Cc1ccc(OCc2ccccc2)c(C(=O)Nc2cccnc2)c1
Answer: Nc1cccnc1.O=Cc1ccc(OCc2ccccc2)c(C(=O)O)c1
Task: retrosynthesis
products: CCCc1cc(C(=O)OC)ccc1OC(C(=O)O)c1ccc2c(c1)OCO2
Answer: CCCc1cc(C(=O)OC)ccc1OC(C(=O)OCC)c1ccc2c(c1)OCO2
Task: retrosynthesis
products: CCOC(=O)c1sc(N2CCC(NC(=O)c3[nH]c(C)c(Cl)c3Cl)CC2)nc1CO
Answer: CCOC(=O)c1sc(N2CCC(NC(=O)c3[nH]c(C)c(Cl)c3Cl)CC2)nc1COC
Task: retrosynthesis
products: COC(=O)C(C)(C1Cc2[nH]c3ccc(Cl)cc3c2C1)S(=O)(=O)c1cccc(N2CCCC2)c1
Answer: C1CCNC1.COC(=O)C(C)(C1Cc2[nH]c3ccc(Cl)cc3c2C1)S(=O)(=O)c1cccc(Br)c1
Task: retrosynthesis
products: O=C(N1CCCc2c(I)cc([N+](=O)[O-])cc21)C(F)(F)F
Answer: II.O=C(N1CCCc2ccc([N+](=O)[O-])cc21)C(F)(F)F
Task: retrosynthesis
products: OCC1CCC2(CCCCCC2)C1
Answer: OCC1CCC2(CCC=CCC2)C1
Task: retrosynthesis
products: CCCN1CCCC(C#Cc2ccc3ncnc(Nc4ccc(Oc5ccccc5)c(C)c4)c3c2)C1
Answer: CCC=O.Cc1cc(Nc2ncnc3ccc(C#CC4CCCNC4)cc23)ccc1Oc1ccccc1
Task: retrosynthesis
products: O=C1CCc2ccc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)cc2N1
Answer: O=C(Cl)c1ccc(Cl)cc1.O=C1CCc2ccc(N3CCNCC3)cc2N1
Task: retrosynthesis
products: COCOc1ccc(C=O)cc1O
Answer: COCCl.O=Cc1ccc(O)c(O)c1
Task: retrosynthesis
products: CN1C2CCC1CN(C(=O)OC(C)(C)C)CC2
Answer: CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CN1C2CCNCC1CC2
Task: retrosynthesis
products: Cc1c(C)c2c(c(C)c1Br)C(c1ccc(C(C)C)cc1)CO2
Answer: BrBr.Cc1cc(C)c2c(c1C)OCC2c1ccc(C(C)C)cc1
Task: retrosynthesis
products: COC(=O)c1cnc(OCC(F)(F)F)cn1
Answer: COC(=O)c1cnc(Cl)cn1.OCC(F)(F)F
Task: retrosynthesis
products: CC(C)(C)[Si](C)(C)OCC(O)c1ccccc1
Answer: CC(C)(C)[Si](C)(C)Cl.OCC(O)c1ccccc1
Task: retrosynthesis
products: [N-]=[N+]=NCCOCC(=O)O
Answer: CCOC(=O)COCCN=[N+]=[N-]
Task: retrosynthesis
products: CCN(CC)c1ncc(NCS(=O)(=O)c2ccc(F)cc2)c(NC(Cc2ccc(OC(=O)N(C)C)cc2)C(=O)O)n1
Answer: CCN(CC)c1ncc(NCS(=O)(=O)c2ccc(F)cc2)c(NC(Cc2ccc(OC(=O)N(C)C)cc2)C(=O)OC(C)(C)C)n1
Task: retrosynthesis
products: Oc1cccc(-c2ccc3c(Br)c(O)ccc3c2)c1
Answer: COc1cccc(-c2ccc3c(Br)c(OC)ccc3c2)c1
Task: retrosynthesis
products: CCc1cc2cc(OC)ccc2c(O)c1-c1ccccc1
Answer: CCc1cc2cc(OC)ccc2c(OC(C)=O)c1-c1ccccc1
Task: retrosynthesis
products: CC(C)(C)C(=O)OCCN1CCCC(Nc2cc(F)ccc2[N+](=O)[O-])C1
Answer: CC(C)(C)C(=O)OCCN1CCCC(N)C1.O=[N+]([O-])c1ccc(F)cc1F
Task: retrosynthesis
products: OC(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)C1CCNCC1
Answer: OC(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccccc2)CC1
Task: retrosynthesis
products: CCCCN(CCCCCCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)Nc1ccc(F)cc1F
Answer: CCCCNCCCCCCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.O=C=Nc1ccc(F)cc1F
Task: retrosynthesis
products: Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1-c1[nH]c(CCN(C)C)nc1C
Answer: CNC.Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1-c1[nH]c(CCCl)nc1C
Task: retrosynthesis
products: NC(=O)Cc1ccccc1CCc1nc(Nc2ccc(C3CCCCN3)cc2)ncc1C(F)(F)F
Answer: CC(C)(C)OC(=O)N1CCCCC1c1ccc(Nc2ncc(C(F)(F)F)c(CCc3ccccc3CC(N)=O)n2)cc1
Task: retrosynthesis
products: CNC(=O)c1ccc([N+](=O)[O-])c(F)c1
Answer: CN.O=C(O)c1ccc([N+](=O)[O-])c(F)c1
Task: retrosynthesis
products: CC1(C)CN(C(=O)c2cccnc2O)c2cc([N+](=O)[O-])ccc2O1
Answer: COc1ncccc1C(=O)N1CC(C)(C)Oc2ccc([N+](=O)[O-])cc21
Task: retrosynthesis
products: COc1ccc(S(=O)(=O)N2CCN(C(C)c3nc4ccc(N)cc4c(=O)n3C)CC2)cc1
Answer: COc1ccc(S(=O)(=O)N2CCN(C(C)c3nc4ccc([N+](=O)[O-])cc4c(=O)n3C)CC2)cc1
Task: retrosynthesis
products: COC(=O)C1(c2ncccn2)CCC2(CC1)OCCO2
Answer: CI.O=C(O)C1(c2ncccn2)CCC2(CC1)OCCO2
Task: retrosynthesis
products: CCCC1(c2ccc(F)cc2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F
Answer: C=CCC1(c2ccc(F)cc2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F
Task: retrosynthesis
products: COc1cccc(O)c1Cl
Answer: COS(=O)(=O)OC.Oc1cccc(O)c1Cl
Task: retrosynthesis
products: O=C(O)c1cc(Nc2c(F)cc(F)cc2Cl)c(Cl)cc1Cl
Answer: CCOC(=O)c1cc(Nc2c(F)cc(F)cc2Cl)c(Cl)cc1Cl
Task: retrosynthesis
products: CN(C)C1CCN(c2ccc(N)cc2C=C2SC(=O)NC2=O)C1
Answer: CN(C)C1CCN(c2ccc([N+](=O)[O-])cc2C=C2SC(=O)NC2=O)C1
Task: retrosynthesis
products: COc1ccc(S(=O)(=O)N2c3ccc(Br)cc3-c3ccc(Cl)cc3C2C)cc1
Answer: BrBr.COc1ccc(S(=O)(=O)N2c3ccccc3-c3ccc(Cl)cc3C2C)cc1
Task: retrosynthesis
products: CCCCN(Cc1ccc(OCC(=O)O)c(C)c1)c1cncc(-c2ccc(C(F)(F)F)cc2)n1
Answer: CCCCN(Cc1ccc(OCC(=O)OCC)c(C)c1)c1cncc(-c2ccc(C(F)(F)F)cc2)n1
Task: retrosynthesis
products: O=C(OCC1OCCS1)c1ccccc1
Answer: O=C(Cl)c1ccccc1.OCC1OCCS1
Task: retrosynthesis
products: CCOC(=O)N1CCc2c(c3cc(C)ccc3n2CC(O)c2ccncc2)C1
Answer: CCOC(=O)Cl.Cc1ccc2c(c1)c1c(n2CC(O)c2ccncc2)CCNC1
Task: retrosynthesis
products: CC(C)(C)[Si](Oc1ccc(O)cc1F)(c1ccccc1)c1ccccc1
Answer: CC(=O)Oc1ccc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(F)c1
Task: retrosynthesis
products: c1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc3[nH]ncc3c2)n1
Answer: Clc1nccc(Nc2cc(C3CC3)[nH]n2)n1.Nc1ccc2[nH]ncc2c1
Task: retrosynthesis
products: COCCN(Cc1ccc(Br)nc1)C(=O)OC(C)(C)C
Answer: CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.COCCNCc1ccc(Br)nc1
Task: retrosynthesis
products: C=CCOC(=O)C(O)CNC(C)C
Answer: C=CCOC(=O)C(O)CN.CC(C)=O
Task: retrosynthesis
products: CNC(=O)Cc1ccc(OC)cc1OC
Answer: CN.COc1ccc(CC(=O)O)c(OC)c1
Task: retrosynthesis
products: O=C1CCCc2c1ccc(=O)n2Cc1ccccc1
Answer: BrCc1ccccc1.O=C1CCCc2[nH]c(=O)ccc21
Task: retrosynthesis
products: O=C(c1ccc2c(c1)OC(c1cc(F)cc(F)c1)(c1cc(F)cc(F)c1)O2)N1CCCCC1
Answer: C1CCNCC1.O=C(O)c1ccc2c(c1)OC(c1cc(F)cc(F)c1)(c1cc(F)cc(F)c1)O2
Task: retrosynthesis
products: CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ncn(-c5ccccc5)c(=O)c4c3)cc12
Answer: CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(B3OC(C)(C)C(C)(C)O3)cc12.O=c1c2cc(Br)ccc2ncn1-c1ccccc1
Task: retrosynthesis
products: NCCCN1CCC(O)CC1
Answer: O=C(NCCCN1CCC(O)CC1)OCc1ccccc1
Task: retrosynthesis
products: Cc1cc(-c2ccn(CCCCCl)c(=O)n2)ccn1
Answer: Cc1cc(-c2cc[nH]c(=O)n2)ccn1.ClCCCCBr
Task: retrosynthesis
products: OCC1CCC(Cc2cccc(Cl)c2)CC1
Answer: O=C(O)C1CCC(Cc2cccc(Cl)c2)CC1
Task: retrosynthesis
products: CC(C)(C)c1cccc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1
Answer: CC(C)(C)c1cccc(N)c1.O=C([O-])Cc1nc(N2CCOCC2)cc(=O)[nH]1
Task: retrosynthesis
products: CCOc1ccc(N(C(=O)OC(C)(C)C)c2c(CC(O)CO[Si](C)(C)C(C)(C)C)c(Cl)nc3ccnn23)cc1
Answer: CC(C)(C)[Si](C)(C)Cl.CCOc1ccc(N(C(=O)OC(C)(C)C)c2c(CC(O)CO)c(Cl)nc3ccnn23)cc1
Task: retrosynthesis
products: O=S(=O)(c1ccccc1)n1ccc2cc(Nc3ncnc4ccc(I)cc34)ccc21
Answer: Clc1ncnc2ccc(I)cc12.Nc1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1
Task: retrosynthesis
products: O=C(Nc1cc(C(F)(F)F)ccc1N1CCc2ccccc21)c1ccncc1
Answer: Nc1cc(C(F)(F)F)ccc1N1CCc2ccccc21.O=C(Cl)c1ccncc1
Task: retrosynthesis
products: CCCCOC(C)C(C)O
Answer: CCCCOC(C)C(C)OCc1ccccc1
Task: retrosynthesis
products: COc1ccc(C(=O)Nc2ccncc2)c2c3ccccc3n(Cc3ccc(F)cc3)c12
Answer: COc1ccc(C(=O)O)c2c3ccccc3n(Cc3ccc(F)cc3)c12.Nc1ccncc1
Task: retrosynthesis
products: Cc1nn(C)cc1CN1CCC(c2ccc(C(=O)Nc3ccccc3N)cc2)CC1
Answer: Cc1nn(C)cc1CN1CCC(c2ccc(C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)cc2)CC1
Task: retrosynthesis
products: O=c1[nH]c2ccc([N+](=O)[O-])cc2c(=O)o1
Answer: O=[N+]([O-])O.O=c1[nH]c2ccccc2c(=O)o1
Task: retrosynthesis
products: CCCc1cc(CO)cc(=O)[nH]1
Answer: CCCc1cc(C(=O)O)cc(=O)[nH]1
Task: retrosynthesis
products: COC(=O)CCCCCCCCCCCO
Answer: CO.O=C(O)CCCCCCCCCCCO
Task: retrosynthesis
products: COc1ccccc1N1CCN(CCC(C(=O)N2CC3(C)CC2CC(C)(C)C3)c2ccccc2)CC1
Answer: CC1(C)CC2CC(C)(CN2)C1.COc1ccccc1N1CCN(CCC(C(=O)O)c2ccccc2)CC1
Task: retrosynthesis
products: N#Cc1cc(Cl)cc(Oc2c(Cl)ccc(CNC(=O)c3[nH]c(C(=O)NC4CC4)cc3Cl)c2F)c1
Answer: N#Cc1cc(Cl)cc(Oc2c(Cl)ccc(CN)c2F)c1.O=C(NC1CC1)c1cc(Cl)c(C(=O)O)[nH]1
Task: retrosynthesis
products: Cc1c(-c2cccc(C(F)(F)F)c2)nc2cc(O)c(F)cc2c1C(=O)O
Answer: COc1cc2nc(-c3cccc(C(F)(F)F)c3)c(C)c(C(=O)O)c2cc1F
Task: retrosynthesis
products: O=C(O)c1c(NS(=O)(=O)c2ccccc2C(F)(F)F)sc2c1CCCC2
Answer: CCOC(=O)c1c(NS(=O)(=O)c2ccccc2C(F)(F)F)sc2c1CCCC2
Task: retrosynthesis
products: CCc1nnc2n1CCN(CCCOc1cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc1OC)C2
Answer: CCc1nnc2n1CCNC2.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCl
Task: retrosynthesis
products: COc1ccc(N)c(OCCN(C)C)c1
Answer: COc1ccc([N+](=O)[O-])c(OCCN(C)C)c1
Task: retrosynthesis
products: CCCCCCCCCC(=O)OCC(CCC)CCCCC
Answer: CCCCCC(CO)CCC.CCCCCCCCCC(=O)O
Task: retrosynthesis
products: NCC1(c2nc(-c3ccccc3)cs2)CCOCC1
Answer: N#CC1(c2nc(-c3ccccc3)cs2)CCOCC1
Task: retrosynthesis
products: CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(S(=O)Cc4nccn4C)cc2)CCN3CC(C)C)cc1
Answer: CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(SCc4nccn4C)cc2)CCN3CC(C)C)cc1.O=C(OO)c1cccc(Cl)c1
Task: retrosynthesis
products: C#CCN(C(=O)CNC)c1cn(-c2cccnc2)nc1Cl
Answer: C#CCN(C(=O)CN(C)C(=O)OC(C)(C)C)c1cn(-c2cccnc2)nc1Cl
Task: retrosynthesis
products: Cc1ccc(S(=O)(=O)OCC(O)CC(C(=O)NNC(=O)OC(C)(C)C)c2cc(F)c(F)c(F)c2)cc1
Answer: CC(C)(C)OC(=O)NNC(=O)C(CC(O)CO)c1cc(F)c(F)c(F)c1.Cc1ccc(S(=O)(=O)Cl)cc1
Task: retrosynthesis
products: CCCc1ccc2c(c1)C(=O)N(c1ccc(C(C)C(=O)O)cc1)C2
Answer: CCCc1ccc2c(c1)C(=O)N(c1ccc(C(C)C(=O)OC(C)(C)C)cc1)C2
Task: retrosynthesis
products: COC(=O)C(Cc1ccc(OCCNC(=O)OC(C)(C)C)cc1)=C(C(=O)OC)C(C)C
Answer: CC(C)(C)OC(=O)NCCO.COC(=O)C(Cc1ccc(O)cc1)=C(C(=O)OC)C(C)C
Task: retrosynthesis
products: COC(=O)CCNc1cc(Br)ccc1[N+](=O)[O-]
Answer: COC(=O)CCN.O=[N+]([O-])c1ccc(Br)cc1F
Task: retrosynthesis
products: Nc1cnc2[nH]nc(C(=O)C3CC3)c2c1
Answer: O=C(c1n[nH]c2ncc([N+](=O)[O-])cc12)C1CC1
Task: retrosynthesis
products: O=C(O)c1cc(F)ccc1OCCc1cccnn1
Answer: COC(=O)c1cc(F)ccc1OCCc1cccnn1
Task: retrosynthesis
products: CNC1CN(C(=O)c2ccccc2)CC1c1ccc(Cl)cc1
Answer: CN(C(=O)OC(C)(C)C)C1CN(C(=O)c2ccccc2)CC1c1ccc(Cl)cc1
Task: retrosynthesis
products: O=C(NCc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1
Answer: NCc1ccc(Cl)c([N+](=O)[O-])c1.O=C(Cl)C1CC1
Task: retrosynthesis
products: CCOC(=O)C=C1c2ccccc2COc2cc(CO)ccc21
Answer: CCOC(=O)C=C1c2ccccc2COc2cc(C(=O)O)ccc21
Task: retrosynthesis
products: COc1cncnc1N1CCNCC1C
Answer: COc1cncnc1N1CCN(C(=O)OC(C)(C)C)CC1C
Task: retrosynthesis
products: O=C1CCCC(c2ccc(Cl)cc2)N1c1ccc(O)cc1
Answer: COc1ccc(N2C(=O)CCCC2c2ccc(Cl)cc2)cc1
Task: retrosynthesis
products: Nc1ncc(C(=O)O)c2c1ncn2CCCl
Answer: CCOC(=O)c1cnc(N)c2ncn(CCCl)c12
Task: retrosynthesis
products: CC[Si](CC)(CC)OC(C1CCN(C(=O)C2CC2)CC1)C(F)(F)F
Answer: CC[Si](CC)(CC)OC(C1CCNCC1)C(F)(F)F.O=C(Cl)C1CC1
Task: retrosynthesis
products: CCCC1(CCO)OCCc2c1[nH]c1c(F)ccc(C(=O)N3CCOCC3)c21
Answer: CCCC1(CCO[Si](C)(C)C(C)(C)C)OCCc2c1[nH]c1c(F)ccc(C(=O)N3CCOCC3)c21
Task: retrosynthesis
products: C#Cc1ccc2c(c1)ncn2Cc1ccc2nc(NC3CCCCC3O)sc2c1
Answer: C[Si](C)(C)C#Cc1ccc2c(c1)ncn2Cc1ccc2nc(NC3CCCCC3O)sc2c1
Task: retrosynthesis
products: CC(C)(C)OC(=O)N1CCC(C=O)CC1
Answer: CC(C)(C)OC(=O)N1CCC(CO)CC1
Task: retrosynthesis
products: COCCOC(=O)NC1CCN(c2nc(-c3c(O)cccc3F)nc3cc(C)ccc23)C1
Answer: COCCOC(=O)Cl.Cc1ccc2c(N3CCC(N)C3)nc(-c3c(O)cccc3F)nc2c1
Task: retrosynthesis
products: O=C(Cc1ccc(OCc2ccccc2)cc1OCc1ccccc1)N1CCN(Cc2ccccc2)CC1
Answer: O=C(O)Cc1ccc(OCc2ccccc2)cc1OCc1ccccc1.c1ccc(CN2CCNCC2)cc1
Task: retrosynthesis
products: O=[N+]([O-])c1ccc(CP(=O)(O)O)cc1
Answer: CCOP(=O)(Cc1ccc([N+](=O)[O-])cc1)OCC
Task: retrosynthesis
products: CC(=O)SCC(Cc1ccc(F)cc1)C(=O)Nc1cccc(C(=O)O)c1
Answer: CC(=O)SCC(Cc1ccc(F)cc1)C(=O)Nc1cccc(C(=O)[O-])c1
Task: retrosynthesis
products: COc1ccc(COC(=O)C2=C(CCl)CSC3C(NC(=O)C(=NOC(C(=O)OC(c4ccccc4)c4ccccc4)c4ccc(O)c(O)c4)c4csc(NC(c5ccccc5)(c5ccccc5)c5ccccc5)n4)C(=O)N23)cc1
Answer: COc1ccc(COC(=O)C2=C(CCl)CSC3C(N)C(=O)N23)cc1.O=C(O)C(=NOC(C(=O)OC(c1ccccc1)c1ccccc1)c1ccc(O)c(O)c1)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1
Task: retrosynthesis
products: Cc1oc(-c2ccc(C(=O)O)cc2)nc1CS(=O)(=O)c1ccc(Br)cc1
Answer: COC(=O)c1ccc(-c2nc(CS(=O)(=O)c3ccc(Br)cc3)c(C)o2)cc1
Task: retrosynthesis
products: O=C1CCCc2c(Br)cccc21
Answer: BrBr.O=C1CCCc2ccccc21
Task: retrosynthesis
products: Cc1ccc(NC(=O)N2CCOCC2)cc1-c1ccc(C(=O)O)cc1
Answer: CCOC(=O)c1ccc(-c2cc(NC(=O)N3CCOCC3)ccc2C)cc1
Task: retrosynthesis
products: CCN(CC)C(=O)N1CCN(c2ccc(O)c(F)c2)CC1
Answer: CCN(CC)C(=O)N1CCN(c2ccc(OCc3ccccc3)c(F)c2)CC1
Task: retrosynthesis
products: COc1ccc2c(C(=O)O)n[nH]c2c1
Answer: CCOC(=O)c1n[nH]c2cc(OC)ccc12
Task: retrosynthesis
products: COc1ccccc1-c1cccc2c1OC(CN)C2
Answer: COc1ccccc1-c1cccc2c1OC(CN=[N+]=[N-])C2
Task: retrosynthesis
products: COC(=O)c1cccc(N)c1C
Answer: COC(=O)c1cccc([N+](=O)[O-])c1C
Task: retrosynthesis
products: O=C(O)c1nc(-c2ccc3c(c2)CCC3=O)c(-c2ccncc2)[nH]1
Answer: CCOC(=O)c1nc(-c2ccc3c(c2)CCC3=O)c(-c2ccncc2)[nH]1
Task: retrosynthesis
products: O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCCCN2CCOCC2)c1Cl
Answer: NCCCN1CCOCC1.O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Cl)c1Cl
Task: retrosynthesis
products: O=C1CCC(N2C(=O)c3cccc(CNC(=O)c4ccc(Cl)cc4)c3C2=O)C(=O)N1
Answer: NCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(Cl)c1ccc(Cl)cc1
Task: retrosynthesis
products: CCCCCCCCCCOC(=O)c1ccc2cc(C(=O)Cl)ccc2c1
Answer: CCCCCCCCCCO.O=C(Cl)c1ccc2cc(C(=O)Cl)ccc2c1
Task: retrosynthesis
products: CCOC(=O)CCCCc1cc(-c2ccccc2O)on1
Answer: CCOC(=O)CCCCc1cc(-c2ccccc2OC)on1
Task: retrosynthesis
products: CC(NC(=O)OC(C)(C)C)c1cccc(Br)c1
Answer: CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC(N)c1cccc(Br)c1
Task: retrosynthesis
products: C=COCCN1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1
Answer: C=COCCCl.Fc1ccc(Cn2c(NC3CCNCC3)nc3ccccc32)cc1
Task: retrosynthesis
products: O=C(Nc1cccnc1)N1CCC(=C(Br)c2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1
Answer: FC(F)(F)c1ccc(Oc2cccc(C(Br)=C3CCNCC3)c2)nc1.O=C(Nc1cccnc1)Oc1ccccc1
Task: retrosynthesis
products: CCCC(=O)N1CCC(COc2cccc([N+](=O)[O-])c2C#N)C1
Answer: CCCC(=O)Cl.N#Cc1c(OCC2CCNC2)cccc1[N+](=O)[O-]
Task: retrosynthesis
products: CN(C(=O)OC(C)(C)C)C1CN(Cc2ccccc2)CC1c1ccc(Cl)c(Cl)c1
Answer: CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CNC1CN(Cc2ccccc2)CC1c1ccc(Cl)c(Cl)c1
Task: retrosynthesis
products: CC(C)(C)OC(=O)N1CCCC(CNc2cccc(-c3cc(NC4CCC(N)CC4)ncc3Cl)n2)C1
Answer: CC(C)(C)OC(=O)N1CCCC(CN)C1.NC1CCC(Nc2cc(-c3cccc(F)n3)c(Cl)cn2)CC1
Task: retrosynthesis
products: O=S(=O)(c1cccc(Cl)c1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1
Answer: FC(F)(F)c1ccc(Cl)nc1.O=S(=O)(c1cccc(Cl)c1)C1CCNCC1
Task: retrosynthesis
products: COc1ccc(OCC(=O)C2CCCN2C(=O)C2CCCN2C(=O)OCc2ccccc2)cc1
Answer: COc1ccc(OCC(O)C2CCCN2C(=O)C2CCCN2C(=O)OCc2ccccc2)cc1
Task: retrosynthesis
products: Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cc3c(c2n1Cc1ccccc1Br)CCC3
Answer: COC(=O)COc1cc2c(c3c1c(C(=O)C(N)=O)c(C)n3Cc1ccccc1Br)CCC2