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stringlengths 25
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CCOC(=O)Cn1ccc2ccc(OCc3cc(-c4ccc(C(F)(F)F)cc4)nn3CC(F)(F)F)cc21.[Li+].[OH-]>>O=C(O)Cn1ccc2ccc(OCc3cc(-c4ccc(C(F)(F)F)cc4)nn3CC(F)(F)F)cc21 | 7 |
BrB(Br)Br.COc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1cnco1.ClCCl.O=C(O)C(F)(F)F.O=C([O-])O.[Na+]>>CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2cnco2)c(O)c1 | 48 |
C1CCOC1.CCO.CCOCC.FB(F)F.O=C(O)C1CCC(F)(F)CC1.[BH4-].[Na+]>>OCC1CCC(F)(F)CC1 | 231 |
CCO.CCOC(=O)CC(=O)c1ccccc1.Cl.[Na+].[OH-]>>O=C(O)CC(=O)c1ccccc1 | 7 |
CI.CN(C)C=O.Cc1cc(C)c2cc[nH]c2c1.[H-]~[Na+]>>Cc1cc(C)c2ccn(C)c2c1 | 191 |
CN(C)C(On1nnc2cccnc21)=[N+](C)C.Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)O.Clc1cccc(N2CCNCC2)c1.F[P-](F)(F)(F)(F)F>>Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2cccc(Cl)c2)CC1 | 146 |
Br.Cc1cccc([N+](=O)[O-])c1N.O.O=N[O-]~[Na+]>>Cc1cccc([N+](=O)[O-])c1Br | 373 |
CO.Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1Cl~Cl.NN>>Cc1nn(-c2ccc(N)cc2)c(C)c1Cl | 1 |
COc1cc2c(cc1N)CCN(CC(=O)N1CCOCC1)CC2.NC(=O)[C@@H]1[C@H](Nc2nc(Cl)ncc2Cl)[C@H]2C=C[C@@H]1C2>>COc1cc2c(cc1Nc1ncc(Cl)c(N[C@@H]3[C@H]4C=C[C@H](C4)[C@@H]3C(N)=O)n1)CCN(CC(=O)N1CCOCC1)CC2 | 808 |
CC#N.CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C.Cn1cnc(C(=O)O)c1.F[P-](F)(F)(F)(F)F.OCCNC1CCOCC1>>Cn1cnc(C(=O)N(CCO)C2CCOCC2)c1 | 729 |
C1CCOC1.COc1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)nc1.Cl.Cl>>COc1ccc(OC2CCNCC2)nc1 | 575 |
C1CCOC1.CO.COC[C@@H]1CCCN1Cc1cc(C)cc(C(=O)OC)c1.O.[Li+]~[OH-]>>COC[C@@H]1CCCN1Cc1cc(C)cc(C(=O)O)c1 | 247 |
CN(C)C=O.CS(=O)(=O)OCCOCCOCCC12CC3CC(CC(C3)C1)C2.O.[N-]=[N+]=[N-]~[Na+]>>[N-]=[N+]=NCCOCCOCCC12CC3CC(CC(C3)C1)C2 | 322 |
C1CCOC1.C1COCCO1.CC(C)C[Al+]CC(C)C~[H-].CCOC(=O)c1ccc(-c2cc3c(Cl)ncnc3[nH]2)cc1.ClCCl.[Al+3]~[H-]~[H-]~[H-]~[H-]~[Li+]>>OCc1ccc(-c2cc3c(Cl)ncnc3[nH]2)cc1 | 311 |
CC(C)(C)[Si](C)(C)Cl.Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1.c1ccncc1>>CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O | 193 |
CCN(CC)CC.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)O)c1=O.F[P-](F)(F)(F)(F)F.NC1CCC1>>COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NC2CCC2)c1=O | 230 |
C1CCOC1.COC(=O)c1nccc(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)n1.[Na+]~[OH-]>>O=C(O)c1nccc(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)n1 | 152 |
CC(C)(C)c1ccc(C=O)cc1.CO.Cl.NCCc1cccc(C(F)(F)F)c1.[BH4-]~[Na+]>>CC(C)(C)c1ccc(CNCCc2cccc(C(F)(F)F)c2)cc1 | 468 |
C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C1COCCO1.CC(=O)[O-].CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1nnc2n1-c1ccc(Br)cc1CC2.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[K+].[Pd].[Pd]>>Cc1nnc2n1-c1ccc(B3OC(C)(C)C(C)(C)O3)cc1CC2 | 942 |
CC(=O)N(C)C.Cc1cccc(C(C)C)c1N.O=C(Cl)c1cc([N+](=O)[O-])ccc1Cl>>Cc1cccc(C(C)C)c1NC(=O)c1cc([N+](=O)[O-])ccc1Cl | 11 |
CO.NC(=O)c1cccc2oc(-c3cccc([N+](=O)[O-])c3)nc12.[Ni]>>NC(=O)c1cccc2oc(-c3cccc(N)c3)nc12 | 1 |
CN(C)C=O.Fc1ccc(CBr)cc1.O.O=C(NC(Cc1cccc(OC(F)(F)C(F)F)c1)C(O)c1ccc(O)cc1)c1cccc2c1C=CCCC2.O=C([O-])[O-].[K+].[K+]>>O=C(NC(Cc1cccc(OC(F)(F)C(F)F)c1)C(O)c1ccc(OCc2ccc(F)cc2)cc1)c1cccc2c1C=CCCC2 | 127 |
Cn1c(=O)oc2ccc(C3(O)CCC(=O)CC3)cc21.O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CNC1>>Cn1c(=O)oc2ccc(C3(O)CCC(N4CC(NC(=O)CNC(=O)c5cccc(C(F)(F)F)c5)C4)CC3)cc21 | 187 |
CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCN(CC)CC.ClCCl.Cl~NCC(O)COc1ccccc1>>CC(C)(C)OC(=O)NCC(O)COc1ccccc1 | 631 |
CN1CC(CCCl)c2nc3ccccc3n2C1=O.Cc1ccccc1.c1ccc(N2CCNCC2)cc1>>CN1CC(CCN2CCN(c3ccccc3)CC2)c2nc3ccccc3n2C1=O | 138 |
C1CCOC1.CC(C)CC(=O)O.Cc1ccc(N)cc1-c1ccc(C(=O)NCC2CC2)cc1>>Cc1ccc(NC(=O)CC(C)C)cc1-c1ccc(C(=O)NCC2CC2)cc1 | 365 |
CCOC(=O)Cl.COc1cc(OCC2CC2)c(-c2ncnc3c(C(=O)NC4CCNCC4)c(C)[nH]c23)cc1F.Cl>>CCOC(=O)N1CCC(NC(=O)c2c(C)[nH]c3c(-c4cc(F)c(OC)cc4OCC4CC4)ncnc23)CC1 | 219 |
CCO.CCOC(=O)c1ccc(NC(=O)[C@H](COC2CCCCO2)NS(=O)(=O)c2ccc(Cl)cc2)cc1.[Na+]~[OH-]>>O=C(O)c1ccc(NC(=O)[C@H](COC2CCCCO2)NS(=O)(=O)c2ccc(Cl)cc2)cc1 | 5 |
CCC(=O)Cl.COc1ccc(-c2ncnc3c(C(=O)N[C@@H]4CNC[C@H]4O)c(C)[nH]c23)c(OCC2CC2)c1~Cl>>CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(C)[nH]c3c(-c4ccc(OC)cc4OCC4CC4)ncnc23)C1 | 125 |
CC(=O)Cl.CCN(C(C)C)C(C)C.COc1ccc2c(=O)n(C)c(C3CCCNC3)c(-c3ccccc3)c2c1.ClCCl.O=C([O-])O~[Na+]>>COc1ccc2c(=O)n(C)c(C3CCCN(C(C)=O)C3)c(-c3ccccc3)c2c1 | 125 |
BrC(Br)(Br)Br.CC#N.CC(=O)NCCc1c[nH]c2ccc(OCCCCO)cc12.c1ccc(P(c2ccccc2)c2ccccc2)cc1>>CC(=O)NCCc1c[nH]c2ccc(OCCCCBr)cc12 | 378 |
BrCC1CC1.CC(C)=O.O=C([O-])[O-].Oc1ccc2[nH]ccc2c1.[K+].[K+]>>c1cc2cc(OCC3CC3)ccc2[nH]1 | 75 |
CO.ClCCl.O=C(O)c1noc(-c2ccccc2)c1C(F)(F)F>>COC(=O)c1noc(-c2ccccc2)c1C(F)(F)F | 195 |
C1CCOC1.Cc1ccc(N)cc1-c1ccc(C(=O)NCC2CC2)cc1.O=C(O)c1ccnc(-c2ccccc2)n1>>Cc1ccc(NC(=O)c2ccnc(-c3ccccc3)n2)cc1-c1ccc(C(=O)NCC2CC2)cc1 | 548 |
COC(Cl)Cl.COc1ccc(OC)c(C)c1C.ClCCl.Cl[Ti](Cl)(Cl)Cl>>COc1cc(C=O)c(OC)c(C)c1C | 591 |
C1COCCO1.CCOC(=O)C1(NC(=O)c2cc(Cl)cnc2N(C)C(C)C)Cc2ccccc2C1.CO.O.[Li+]~[OH-]>>CC(C)N(C)c1ncc(Cl)cc1C(=O)NC1(C(=O)O)Cc2ccccc2C1 | 7 |
O=C(O)c1ccc(OCc2ccccc2)c(Cl)c1.O=S(Cl)Cl>>O=C(Cl)c1ccc(OCc2ccccc2)c(Cl)c1 | 3 |
CC(C)(C)OC(=O)N1CC(n2cc(-c3cc4c(-c5ccc(OC6CCOCC6)c(C#N)c5)ccnc4n3S(=O)(=O)c3ccccc3)cn2)C1.ClCCl.O=C([O-])[O-].OCC(F)(F)F.[Cs+].[Cs+]>>CC(C)(C)OC(=O)N1CC(n2cc(-c3cc4c(-c5ccc(OC6CCOCC6)c(C#N)c5)ccnc4[nH]3)cn2)C1 | 831 |
CCO.CCOP(=O)(OCC)Oc1ccc(CO[Si](C)(C)C(C)(C)C)cc1.Cl.O=C([O-])O.[Na+]>>CCOP(=O)(OCC)Oc1ccc(CO)cc1 | 708 |
BrBr.CC(=O)O.Cc1ccc2oc(-c3ccc(N)cc3)nc2c1>>Cc1ccc2oc(-c3ccc(N)c(Br)c3)nc2c1 | 98 |
CCO.CCOC(=O)c1c2n(c3cc(Br)c(F)cc3c1=O)C(C)CS2.[K+]~[OH-]>>CC1CSc2c(C(=O)O)c(=O)c3cc(F)c(Br)cc3n21 | 171 |
CCOC(C)=O.CN(C)CCOc1ccc2ccc(N)nc2n1.O.O=C(O)c1ccccc1>>CN(C)CCOc1ccc2ccc(NC(=O)c3ccccc3)nc2n1 | 744 |
COc1cccc(CCC(=O)Cl)c1.Nc1ccc(F)cc1>>COc1cccc(CCC(=O)Nc2ccc(F)cc2)c1 | 9 |
C1CCOC1.CCOC(C)=O.COc1ccc(CCNC(C)=O)cc1OC.O.[Al+3]~[H-]~[H-]~[H-]~[H-]~[Li+]>>CCNCCc1ccc(OC)c(OC)c1 | 112 |
CC(=O)[O-]~[NH4+].CCN=C=NCCCN(C)C~Cl.CCNc1nc(Nc2cc(C#N)cc(C3CNC3)c2Cl)nn2c(C#N)cnc12.CN1CCCC1=O.CO.N#CCC(=O)O.O.O~On1nnc2ccccc21>>CCNc1nc(Nc2cc(C#N)cc(C3CN(C(=O)CC#N)C3)c2Cl)nn2c(C#N)cnc12 | 146 |
CCN=C=NCCCN(C)C.CCSc1cc(C(F)(F)F)cnc1C(=O)O.Cl.Nc1cc(C(F)(F)F)cnc1NCC(F)(F)F.O=C(O)CC(O)(CC(=O)O)C(=O)O.On1nnc2ccccc21.c1ccncc1>>CCSc1cc(C(F)(F)F)cnc1C(=O)Nc1cc(C(F)(F)F)cnc1NCC(F)(F)F | 776 |
C1CCOC1.COc1ccc([N+](=O)[O-])c(Cl)n1.C[S-]~[Na+].ClCCl>>COc1ccc([N+](=O)[O-])c(SC)n1 | 333 |
COc1ccc(Br)c2c1CCC(=O)CC2.ClCCl.O=S(=O)(O)O.O=[N+]([O-])[O-].[Br-].[K+]>>COc1c([N+](=O)[O-])cc(Br)c2c1CCC(=O)CC2 | 103 |
CCN(C(C)C)C(C)C.CCc1cccc(Nc2nc(Cl)ncc2C(N)=O)c1.CN1CCCC1=O.Cl~NCCc1ccc(O)c(Cl)c1.O>>CCc1cccc(Nc2nc(NCCc3ccc(O)c(Cl)c3)ncc2C(N)=O)c1 | 544 |
C/C(=C\c1cc(F)c(Oc2ccc(S(=O)(=O)Cl)cc2)c(F)c1)C(=O)O.N>>C/C(=C\c1cc(F)c(Oc2ccc(S(N)(=O)=O)cc2)c(F)c1)C(=O)O | 245 |
CC(C)CC(C(=O)O)N1C(=O)C(=O)c2ccccc21.CCN(C(C)C)C(C)C.CCOC(C)=O.CN(C)C=O.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.F[P-](F)(F)(F)(F)F.Nc1nccs1>>CC(C)CC(C(=O)Nc1nccs1)N1C(=O)C(=O)c2ccccc21 | 681 |
CC(C(=O)O)c1ccc2oc(-c3c(F)cccc3Cl)nc2c1.CCCCCC.CCN=C=NCCCN(C)C.CCOCC.CN(C)C=O.Cl.Nc1ccnc2c(F)cccc12.On1nnc2cccnc21>>CC(C(=O)Nc1ccnc2c(F)cccc12)c1ccc2oc(-c3c(F)cccc3Cl)nc2c1 | 365 |
CO.COC(=O)c1ccc(C2=NC(C)(C)Cc3cc(OC)c4c(c32)CC(C)(C)O4)cc1NC(=O)c1cccc(NC(C)=O)c1.Cl.[Na+]~[OH-]>>COc1cc2c(c3c1OC(C)(C)C3)C(c1ccc(C(=O)O)c(NC(=O)c3cccc(NC(C)=O)c3)c1)=NC(C)(C)C2 | 247 |
CCOC(=O)[C@@H]1CCCCN1c1nc2ccccc2s1.[Li+].[OH-]>>O=C(O)[C@@H]1CCCCN1c1nc2ccccc2s1 | 7 |
C#Cc1cccc(C#N)c1.CCN(CC)CC.CCOC(C)=O.CSc1cncc(Br)c1.[Cu]I.c1ccc([P]([Pd][P](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1>>CSc1cncc(C#Cc2cccc(C#N)c2)c1 | 719 |
CN1CCN(c2ccc(-c3nn(COCC[Si](C)(C)C)c4c3Cc3sccc3-4)cc2)CC1.ClCCl.O=C1CCC(=O)N1Br>>CN1CCN(c2ccc(-c3nn(COCC[Si](C)(C)C)c4c3Cc3sc(Br)cc3-4)cc2)CC1 | 807 |
CCOCC.O.O=Cc1ccc(F)c(Oc2ccccc2)c1.[Al+3].[H-].[H-].[H-].[H-].[Li+].[Na+].[OH-]>>OCc1ccc(F)c(Oc2ccccc2)c1 | 356 |
CCOC(=O)CCCCBr.CN(C)C=O.O.O=C([O-])[O-].O=Cc1cc(Br)ccc1O.[K+].[K+]>>CCOC(=O)CCCCOc1ccc(Br)cc1C=O | 75 |
CC(C)(C)n1ncc(-c2nc(CC(=O)O)cs2)c1-c1ccc(F)cc1.CC(C)(O)CN>>CC(C)(O)CNC(=O)Cc1csc(-c2cnn(C(C)(C)C)c2-c2ccc(F)cc2)n1 | 230 |
C1CCN(C2CCNCC2)C1.O=S(=O)(Cl)c1cccc2ccccc12>>O=S(=O)(c1cccc2ccccc12)N1CCC(N2CCCC2)CC1 | 99 |
C1CCOC1.C1COCCO1.CC(C)(C)P(C(C)(C)C)C(C)(C)C.CSc1ccccc1B(O)O.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=[N+]([O-])c1ccc(F)c(Br)c1.[F-].[K+].[Pd].[Pd]>>CSc1ccccc1-c1cc([N+](=O)[O-])ccc1F | 837 |
CC1(C)OB(c2ccc(Cl)nc2)OC1(C)C.CCO.Cc1ccccc1.O=C([O-])[O-]~[Na+]~[Na+].O=c1[nH]ccc2c3[nH]c(-c4c(F)cccc4Cl)nc3c3ccc(Br)cc3c12>>O=c1[nH]ccc2c3[nH]c(-c4c(F)cccc4Cl)nc3c3ccc(-c4ccc(Cl)nc4)cc3c12 | 954 |
C1CCCCC1.CCOC(C)=O.Clc1cncc(Cl)n1.Oc1ccccc1-c1ccccc1>>Clc1cncc(Oc2ccccc2-c2ccccc2)n1 | 210 |
C1COCCO1.CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Br)s2)C(COc2cccnc2)C1.Cc1ccccc1.ClCCl.O.O=C([O-])[O-].OB(O)c1ccccc1Cl.[Na+].[Na+]>>CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccccc3Cl)s2)C(COc2cccnc2)C1 | 864 |
CC(=O)OCc1[nH]c(=O)c(C(C)C)c(C(=O)c2cc(C#N)cc(C#N)c2)c1CC1CC1.CO.[NH4+]~[OH-]>>CC(C)c1c(C(=O)c2cc(C#N)cc(C#N)c2)c(CC2CC2)c(CO)[nH]c1=O | 348 |
C1CCOC1.CCO.CCOC(=O)c1cccc2cc(-c3ccc(OCc4c(CCc5c(Cl)cccc5Cl)noc4C(C)C)cc3)ccc12.[Na+].[OH-]>>CC(C)c1onc(CCc2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3c(C(=O)O)cccc3c2)cc1 | 5 |
COc1ccc2ncc(SCCN3CCC(N)CC3)nc2c1.O=C1CSc2cc(Cl)c(C(=O)O)cc2N1>>COc1ccc2ncc(SCCN3CCC(NC(=O)c4cc5c(cc4Cl)SCC(=O)N5)CC3)nc2c1 | 334 |
CCN(CC)CC.CCOC(=O)c1ncc(C(=O)O)cc1Cl.CN(C)C(On1nnc2cccnc21)=[N+](C)C~F[P-](F)(F)(F)(F)F.CN(C)C=O.Fc1ccc(CN2CCNCC2)cc1>>CCOC(=O)c1ncc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cc1Cl | 256 |
CC(C)(C)OC(=O)NCc1ccc(NC(=O)CCCCCCC(=O)[O-])cc1.CO.[Na+]~[OH-]>>CC(C)(C)OC(=O)NCc1ccc(NC(=O)CCCCCCC(=O)O)cc1 | 151 |
CC(C)C(CO)N(Cc1cccc(Br)n1)C(=O)OC(C)(C)C.CS(C)=O.ClC(Cl)Cl~O=C=O.ClCCl.O=C(Cl)C(=O)Cl>>CC(C)C(C=O)N(Cc1cccc(Br)n1)C(=O)OC(C)(C)C | 142 |
C1CCOC1.CCOC(=O)C1CCc2[nH]c3ccccc3c2C1.O~[Li+]~[OH-]>>O=C(O)C1CCc2[nH]c3ccccc3c2C1 | 7 |
CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.NCc1cc(Cl)c(NC(=O)CCl)c(Cl)c1>>CC(C)(C)OC(=O)NCc1cc(Cl)c(NC(=O)CCl)c(Cl)c1 | 686 |
C1CCOC1.CCN(CC)CC.CN(C)c1ccncc1.Cc1ccc(-c2c(CC(=O)O)c(C)nc(CC(C)(C)C)c2CNC(=O)OC(C)(C)C)cc1.O=C(COC(=O)c1ccc(CO)cc1)c1ccccc1.O=C(Cl)c1c(Cl)cc(Cl)cc1Cl>>Cc1ccc(-c2c(CC(=O)OCc3ccc(C(=O)OCC(=O)c4ccccc4)cc3)c(C)nc(CC(C)(C)C)c2CNC(=O)OC(C)(C)C)cc1 | 17 |
CC(C)(C)OC(=O)N1CCC(CO)CC1.CCCC[N+](CCCC)(CCCC)CCCC.Cc1ccccc1.ClCCN1CCCC1.ClCCl.O.[Br-]>>CC(C)(C)OC(=O)N1CCC(COCCN2CCCC2)CC1 | 308 |
C1CCOC1.CCOC(=O)c1noc(-c2ccc(F)cc2)c1F.Cl.O.[Li+].[OH-]>>O=C(O)c1noc(-c2ccc(F)cc2)c1F | 171 |
CO.COC(=O)c1ccc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)cc1F.Cl.O.[Li+].[OH-]>>O=C(O)c1ccc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)cc1F | 247 |
C1CCOC1.Cc1ccc(C#N)cc1Nc1nc2ccc(F)cc2c2c(=O)[nH]ccc12.[Al+3]~[H-]~[H-]~[H-]~[H-]~[Li+]>>Cc1ccc(CN)cc1Nc1nc2ccc(F)cc2c2c(=O)[nH]ccc12 | 175 |
C1CCOC1.CC(C)(C)[O-].CCBr.O=C1COc2cccc3nc4c(c(c23)N1)CCCC4.[K+]>>CCN1C(=O)COc2cccc3nc4c(c1c23)CCCC4 | 367 |
C1CCOC1.CCOC(=O)c1cn(C(C)C)c(C)n1.CO.Cl.[Na+]~[OH-]>>Cc1nc(C(=O)O)cn1C(C)C | 171 |
C1CCNCC1.CC#N.COC(=O)Cc1ccccc1OCCCBr.O=C([O-])[O-].[I-].[K+].[K+].[Na+]>>COC(=O)Cc1ccccc1OCCCN1CCCCC1 | 73 |
CC(C)(C)OC(=O)N1CC(c2cccc(C(=O)N3CCC(Oc4ccc(F)cc4)CC3)n2)C1.ClCCl.O=C(O)C(F)(F)F.O=C([O-])O.[Na+]>>O=C(c1cccc(C2CNC2)n1)N1CCC(Oc2ccc(F)cc2)CC1 | 575 |
CCOC(=O)c1cnc2nc(C(=O)O)ccc2c1O.Cl.O.[K+].[OH-]>>O=C(O)c1ccc2c(O)c(C(=O)O)cnc2n1 | 171 |
CCOc1ccc(C2CCC3(CC2)OCCO3)c(F)c1F.Cc1ccccc1.O=CO>>CCOc1ccc(C2CCC(=O)CC2)c(F)c1F | 251 |
COC(=O)C(Cc1ccc(OCc2ccccc2)cc1)SC1=NS(=O)(=O)c2ccccc21.CO~O.Cl.O.[K+]~[OH-]>>O=C(O)C(Cc1ccc(OCc2ccccc2)cc1)SC1=NS(=O)(=O)c2ccccc21 | 88 |
CCO.COC(=O)c1ccn(C2CCN(Cc3cc(C4CC4)c(-c4ccc(F)cc4)cc3OC(C)C)CC2)c(=O)c1.Cl.[Na+]~[OH-]>>CC(C)Oc1cc(-c2ccc(F)cc2)c(C2CC2)cc1CN1CCC(n2ccc(C(=O)O)cc2=O)CC1 | 152 |
CCO.COC(=O)c1ccc(CCCN(CCCc2cccc(Cl)c2)S(=O)(=O)c2cccnc2)s1.[Na+]~[OH-]>>O=C(O)c1ccc(CCCN(CCCc2cccc(Cl)c2)S(=O)(=O)c2cccnc2)s1 | 152 |
CC(C)(C)[O-]~[Na+].Cc1cc(C)cc(N)c1.Cc1cccc(C)c1-c1ccc(Nc2nccnc2Cl)cc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1~O=C(/C=C/c1ccccc1)/C=C/c1ccccc1~O=C(/C=C/c1ccccc1)/C=C/c1ccccc1~[Pd]~[Pd].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1>>Cc1cc(C)cc(Nc2nccnc2Nc2ccc(-c3c(C)cccc3C)cc2)c1 | 780 |
CC(CC(=O)O)CC(=O)Nc1ccc(C#N)c(Cl)c1.CCN(C(C)C)C(C)C.CCN1C(=O)COc2cc(N)ccc21.CN(C)C(On1nnc2cccnc21)=[N+](C)C~F[P-](F)(F)(F)(F)F.CN(C)C=O.O>>CCN1C(=O)COc2cc(NC(=O)CC(C)CC(=O)Nc3ccc(C#N)c(Cl)c3)ccc21 | 365 |
CCOC(=O)c1ncc(C)c(Cl)c1C.[Na+]~[OH-]>>Cc1cnc(C(=O)O)c(C)c1Cl | 171 |
CCOC(=O)CC(C)(Cc1ccc(OCCCNc2ccccn2)cc1)c1cccnc1.CO.O=C(O)C(F)(F)F.[Na+].[OH-]>>CC(CC(=O)O)(Cc1ccc(OCCCNc2ccccn2)cc1)c1cccnc1 | 7 |
C1CCOC1.CCOC(=O)C(CC1CC1)c1cc(Cl)c(OCC2CC2)c(-c2ccc(C(F)(F)F)cc2)c1.CO.O.O.[Li+].[OH-]>>O=C(O)C(CC1CC1)c1cc(Cl)c(OCC2CC2)c(-c2ccc(C(F)(F)F)cc2)c1 | 7 |
CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC(C)[C@@H](N)C(=O)O.O.O=C([O-])O~[Na+]>>CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)O | 626 |
CCI.CN1CCCC1=O.O.O=C([O-])[O-].Oc1ccc2c(c1)ncn2Cc1ccc2nc(N[C@@H]3CCCC[C@H]3O)sc2c1.[Cs+].[Cs+]>>CCOc1ccc2c(c1)ncn2Cc1ccc2nc(N[C@@H]3CCCC[C@H]3O)sc2c1 | 198 |
C1CCOC1.CCCC[N+](CCCC)(CCCC)CCCC.CCN(CCCO[Si](C)(C)C(C)(C)C)C(=O)OCc1ccccc1.CCOC(C)=O.O.[F-]>>CCN(CCCO)C(=O)OCc1ccccc1 | 708 |
C1CCOC1.N#Cc1cccc(B(O)O)c1.Nc1cc2cccnc2c(Br)n1.O=C([O-])[O-]~[Na+]~[Na+].c1ccc(P(c2ccccc2)c2ccccc2)cc1>>N#Cc1cccc(-c2nc(N)cc3cccnc23)c1 | 876 |
CC(C)(C)OC(=O)NCCCO.CCN(CC)CC.CS(C)=O.ClCCl.O.O=C(Cl)C(=O)Cl>>CC(C)(C)OC(=O)NCCC=O | 142 |
CC(=O)O.CC(=O)c1cccc(Cl)c1.CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(CCN)c1cccc(Cl)c1.CC1(c2cccc(Cl)c2)C=CC=C(C=CC#N)C1.COc1cccc(C(C)=O)c1.[2H][2H].[BH3-]C#N.[Na+].[OH-].[OH-].[Pd+2].[Ti+4]>>COc1cccc(C(C)NCCC(C)c2cccc(Cl)c2)c1 | 693 |
CCCCCC.CCOC(C)=O.CN(C)C=O.COCCOCCOCCOS(C)(=O)=O.O=C([O-])[O-]~[K+]~[K+].Oc1cccc(I)c1>>COCCOCCOCCOc1cccc(I)c1 | 702 |
CC(C)(C)OC(=O)N1CCc2c(C(=O)O)n[nH]c2C1.CCN(C(C)C)C(C)C.CCN=C=NCCCN(C)C.CN(C)C=O.Cl~Fc1ccc(Cl)c(C2CCNCC2)c1.O.On1nnc2ccccc21>>CC(C)(C)OC(=O)N1CCc2c(C(=O)N3CCC(c4cc(F)ccc4Cl)CC3)n[nH]c2C1 | 663 |
C1CCOC1.CCc1nc(N)nc(-c2ccc(C(=O)OC)c(F)c2)c1C#Cc1ccc(N)nc1>>CCc1nc(N)nc(-c2ccc(C(=O)O)c(F)c2)c1C#Cc1ccc(N)nc1 | 247 |