text
stringlengths 25
599
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int64 0
999
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|---|---|
C1CCOC1.CC(=O)NCC=C1CCc2c(Cl)cc3nn(C)cc3c21.[Pt]>>CC(=O)NCCC1CCc2c(Cl)cc3nn(C)cc3c21 | 249 |
CN(C)C=O.CN(C)c1ccncc1.COC(=O)c1ccc(OCC2(C)CCCN2)c([N+](=O)[O-])c1.COc1cc(CC(=O)O)ccc1NC(=O)Nc1ccccc1C.ClCCCl.On1nnc2ccccc21>>COC(=O)c1ccc(OCC2(C)CCCN2C(=O)Cc2ccc(NC(=O)Nc3ccccc3C)c(OC)c2)c([N+](=O)[O-])c1 | 146 |
CCOCC.O.O=C(O)Cc1ccc(-c2ccccc2)cc1.[Al+3].[H-].[H-].[H-].[H-].[K+].[Li+].[OH-]>>OCCc1ccc(-c2ccccc2)cc1 | 231 |
CNc1nccc(-c2ccccc2Oc2ccc([N+](=O)[O-])cc2)n1.CO.[H][H].[Pd]>>CNc1nccc(-c2ccccc2Oc2ccc(N)cc2)n1 | 335 |
CC(C)(C)OC(=O)NC1CNC1.CCN(CC)CC.ClCCl.O=S(=O)(Cl)c1ccccc1.[Cl-].[NH4+]>>CC(C)(C)OC(=O)NC1CN(S(=O)(=O)c2ccccc2)C1 | 99 |
CC[C@@H]1C(=O)N(C)c2cnc(-c3ccncc3NC(=O)OC(C)(C)C)nc2N1C1CCCC1.ClCCl.O=C(O)C(F)(F)F>>CC[C@@H]1C(=O)N(C)c2cnc(-c3ccncc3N)nc2N1C1CCCC1 | 877 |
C1COCCO1.CC1(C)OB(c2ccc(C#N)cc2)OC1(C)C.Cl[Pd]Cl.O.O=C([O-])[O-].O=C1COC2(CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CN1C1CC1.[Fe+2].[K+].[K+].c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1>>N#Cc1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)CN(C3CC3)C(=O)CO4)cc2)cc1 | 933 |
CCN(C(C)C)C(C)C.CN1CCCC1=O.Cc1cn(CCCCCl)c(=O)[nH]c1=O.Clc1ccc(CN2CCNCC2)c(Cl)c1.[Br-].[Na+]>>Cc1cn(CCCCN2CCN(Cc3ccc(Cl)cc3Cl)CC2)c(=O)[nH]c1=O | 138 |
C(=NC1CCCCC1)=NC1CCCCC1.CN(C)C=O.O=C(O)CCC(=O)OCc1ccccc1.O=c1cc(O)cc[nH]1>>O=C(CCC(=O)Oc1cc[nH]c(=O)c1)OCc1ccccc1 | 108 |
CON~Cl.O=Cc1ccccc1F>>CON=Cc1ccccc1F | 30 |
C1COCCO1.ClCCl.Nc1cncc(Br)c1.O=S(=O)(Cl)C1CC1.c1ccncc1>>O=S(=O)(Nc1cncc(Br)c1)C1CC1 | 812 |
CCOC(C)=O.CN(C)C=O.COc1ccc(O)c(C2(SC)Sc3ccccc3N(C)C2=O)c1.ClCCCBr.O.[H-].[Na+]>>COc1ccc(OCCCCl)c(C2(SC)Sc3ccccc3N(C)C2=O)c1 | 75 |
CC(C)(C)C(=O)Oc1ccccc1C(=O)O.ClCCl.O=S(Cl)Cl.c1ccncc1>>CC(C)(C)C(=O)Oc1ccccc1C(=O)Cl | 3 |
CCN=C=NCCCN(C)C.CCOC(C)=O.CN.CN(C)C=O.Nc1cc(C(=O)O)c(F)cc1F.On1nnc2ccccc21>>CNC(=O)c1cc(N)c(F)cc1F | 334 |
C1CCOC1.CCCCP(CCCC)CCCC.CCOC(=O)CCNC(=O)c1ccc(NC(c2oc3ccc(O)cc3c2C)C2CCCCC2)cc1.O=C(N=NC(=O)N1CCCCC1)N1CCCCC1.OCc1ccnc(F)c1>>CCOC(=O)CCNC(=O)c1ccc(NC(c2oc3ccc(OCc4ccnc(F)c4)cc3c2C)C2CCCCC2)cc1 | 347 |
C1CCOC1.COC(=O)c1cccc2c1N(COCC[Si](C)(C)C)C(=O)CCC2.COC(C)(C)C.O=C([O-])O~[Na+].[BH4-]~[Li+]>>C[Si](C)(C)CCOCN1C(=O)CCCc2cccc(CO)c21 | 444 |
C1CCOC1.CC(C)Oc1cc(N)c(C(=O)O)c(OC(C)C)c1.CCN(CC)CC.CCN=C=NCCCN(C)C~Cl.CCOC(C)=O~CO~ClCCl.O.On1nnc2ccccc21.[NH4+]~[OH-]>>CC(C)Oc1cc(N)c(C(N)=O)c(OC(C)C)c1 | 358 |
CCO.COC(=O)c1cc(-c2ccc(OC)cc2C(F)(F)F)ccc1Cn1cc2nc(-c3cccc(F)c3F)nc-2cn1.[K+].[OH-]>>COc1ccc(-c2ccc(Cn3cc4nc(-c5cccc(F)c5F)nc-4cn3)c(C(=O)O)c2)c(C(F)(F)F)c1 | 247 |
CCOC(=O)CCCCCBr.CN(C)C=O.COc1ccc(-c2c(-c3ccccc3)oc(C)c2CO)cc1.Cl.O>>CCOC(=O)CCCCCOCc1c(C)oc(-c2ccccc2)c1-c1ccc(OC)cc1 | 95 |
CC(C)(C)OC(=O)NC1CCNCC1.CCN(CC)CC.CCO.Clc1ncnc2[nH]ccc12>>CC(C)(C)OC(=O)NC1CCN(c2ncnc3[nH]ccc23)CC1 | 540 |
CC(C)Oc1ccc(S(N)(=O)=O)cc1N.ClC(Cl)Cl.O.O=C([O-])O.S=C(Cl)Cl.[Na+]>>CC(C)Oc1ccc(S(N)(=O)=O)cc1N=C=S | 114 |
C1CCOC1.COC(=O)Cc1cc2ccc(F)cc2c(C2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)c1C.O.O~[Li+]~[OH-]>>Cc1c(CC(=O)O)cc2ccc(F)cc2c1C1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 | 88 |
CC#N.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CN(C)c1ccncc1.Clc1nccc2[nH]ccc12>>CC(C)(C)OC(=O)n1ccc2c(Cl)nccc21 | 748 |
C1CCOC1.CCOC(=O)CN(c1ccc2c(c1)S(=O)(=O)N=C(C1=C(O)c3ccccc3C(CCC(C)C)(NO)C1=O)N2)S(C)(=O)=O.Cl>>CC(C)CCC1(NO)C(=O)C(C2=NS(=O)(=O)c3cc(N(CC(=O)O)S(C)(=O)=O)ccc3N2)=C(O)c2ccccc21 | 7 |
C1COCCO1.CN1CCCC1=O.C[C@@H]1CN(c2cnc(N3CCOCC3)c(N)c2)CCO1.Cc1c(-c2ccccn2)nc2cc(F)ccc2c1Cl.Cl>>Cc1c(-c2ccccn2)nc2cc(F)ccc2c1Nc1cc(N2CCO[C@H](C)C2)cnc1N1CCOCC1 | 859 |
CC(C)(C)N1CCNCC1.CCO.O=C(Nc1ccc(CBr)c(C(F)(F)F)c1)C(F)(F)F>>CC(C)(C)N1CCN(Cc2ccc(NC(=O)C(F)(F)F)cc2C(F)(F)F)CC1 | 248 |
CCN=C=NCCCN(C)C.CCN=C=NCCCN(C)C~Cl.NCc1ccccc1.O.O=C(O)c1ccc2ncccc2c1.c1ccncc1>>O=C(NCc1ccccc1)c1ccc2ncccc2c1 | 753 |
COc1cc(OC)c(C(=O)O)cc1Cl.ClCCl.O=S(Cl)Cl>>COc1cc(OC)c(C(=O)Cl)cc1Cl | 3 |
CC(C)(C)[Si](C)(C)Cl.CC(C)(C)c1cc(N)n(-c2ccc(Cl)c(O)c2)n1.CN(C)C=O.O=C([O-])O~[Na+].c1c[nH]cn1>>CC(C)(C)c1cc(N)n(-c2ccc(Cl)c(O[Si](C)(C)C(C)(C)C)c2)n1 | 746 |
N#Cc1ccc(F)c(NCc2ccc3c(c2)OCCO3)c1.N#Cc1cccc(N)c1.O=Cc1ccc2c(c1)OCCO2>>N#Cc1cccc(NCc2ccc3c(c2)OCCO3)c1 | 359 |
CC(C)(C)N.CCN(C(C)C)C(C)C.CCN=C=NCCCN(C)C~Cl.CN(C)C=O.O=C(O)Cc1ccccc1C#Cc1ccnc2[nH]ccc12.On1nnc2ccccc21>>CC(C)(C)NC(=O)Cc1ccccc1C#Cc1ccnc2[nH]ccc12 | 230 |
CNCCCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.Cl~Cl~Nc1c(F)c(N)c(F)c(F)c1F.O~O=C(O)c1ccc(O)cc1Cl>>CN(CCCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)c1ccc(O)cc1Cl | 44 |
COCN(c1cccc(-c2nn(C3CCCCO3)cc2-c2ccnc(N)n2)c1F)S(=O)(=O)c1cc(F)ccc1F.Cc1ccc(S(=O)(=O)O)cc1.O>>COCN(c1cccc(-c2n[nH]cc2-c2ccnc(N)n2)c1F)S(=O)(=O)c1cc(F)ccc1F | 689 |
CCCc1ccccc1OCCCCCSCC1COC(CCC(=O)OCC)(CCC(=O)OCC)S1.[Li+]~[OH-]>>CCCc1ccccc1OCCCCCSCC1COC(CCC(=O)O)(CCC(=O)O)S1 | 255 |
C1COCCO1.C[C@@H]1CO[C@H](CNS(C)(=O)=O)CN1c1cc(-c2ccc(C#N)c(F)c2)nc(N)n1.NN.O>>C[C@@H]1CO[C@H](CNS(C)(=O)=O)CN1c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1 | 945 |
CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(-c3nc(-c4ccc(C(F)(F)F)cc4)cc(C(F)F)n3)ccn2)s1.ClCCl.O=C(O)C(F)(F)F>>NS(=O)(=O)c1ccc(-c2cc(-c3nc(-c4ccc(C(F)(F)F)cc4)cc(C(F)F)n3)ccn2)s1 | 680 |
CCO.Nc1cccc2c(Cl)ccnc12.[H-]~[Na+]>>CCOc1ccnc2c(N)cccc12 | 651 |
CCOc1cc(F)ccc1C(F)(F)C(=O)O.Cl.NCc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.O=C([O-])O.O=P(Cl)(Cl)Cl.[Na+].c1ccncc1>>CCOc1cc(F)ccc1C(F)(F)C(=O)NCc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O | 599 |
CCC(CC)C(=O)Cl.O=C(NCCC1CC1)c1ccc(N2CCNCC2)nn1>>CCC(CC)C(=O)N1CCN(c2ccc(C(=O)NCCC3CC3)nn2)CC1 | 125 |
CCCCCCCNCc1ccc(F)cc1F.CCN(C(C)C)C(C)C.CCOC(C)=O.CN(C)C(On1nnc2ccccc21)=[N+](C)C~F[B-](F)(F)F.CN(C)C=O.COC(=O)c1ccccc1CSc1ccc(CCC(=O)O)cc1>>CCCCCCCN(Cc1ccc(F)cc1F)C(=O)CCc1ccc(SCc2ccccc2C(=O)OC)cc1 | 633 |
CN(C)C(On1nnc2cccnc21)=[N+](C)C~F[P-](F)(F)(F)(F)F.CN(C)C=O.Cl~N#C[C@@H](N)CCc1ccccc1.O=C(O)C(F)(F)CCCc1ccccc1>>N#C[C@H](CCc1ccccc1)NC(=O)C(F)(F)CCCc1ccccc1 | 230 |
CC#N.Cc1c[nH]c(=O)[nH]c1=O.Cc1ccc(S(=O)(=O)Cl)cc1.Cl.O.[Na+]~[OH-]>>Cc1ccc(S(=O)(=O)n2cc(C)c(=O)[nH]c2=O)cc1 | 354 |
C1CCOC1~CO.C[C@@](CCn1cc(C2CCCCC2)cn1)(C(=O)[O-])S(C)(=O)=O.O.[Li+]~[OH-]>>C[C@@](CCn1cc(C2CCCCC2)cn1)(C(=O)O)S(C)(=O)=O | 151 |
C1CCOC1.CCN(CC)CC.Cl~Cl~N[C@@H]1CC[C@@H](N2CCOCC2)CC1.NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1>>NS(=O)(=O)c1ccc(N[C@@H]2CC[C@@H](N3CCOCC3)CC2)c([N+](=O)[O-])c1 | 572 |
CCOC(=O)/C=C(\C)c1ccc(Br)cc1.COc1cccc(OC)c1B(O)O>>CCOC(=O)/C=C(\C)c1ccc(-c2c(OC)cccc2OC)cc1 | 837 |
CCO.CCOC(=O)C(O)(c1ccccc1)c1cccc(OCCCCC2OCCO2)c1.O=S(=O)([O-])O.[K+].[Na+].[OH-]>>O=C(O)C(O)(c1ccccc1)c1cccc(OCCCCC2OCCO2)c1 | 7 |
CC(C)N.CCOC(=O)c1[nH]c2ccc(OC)cc2c1C.CN(C)C=O.COc1ccc2[nH]c(C(=O)O)c(C)c2c1.O.On1nnc2ccccc21>>COc1ccc2[nH]c(C(=O)NC(C)C)c(C)c2c1 | 137 |
COc1ccc(B(O)O)cc1.COc1cccc(CN(C)C(=O)c2ccc(Br)s2)c1.[Pd]~c1ccc(P(c2ccccc2)c2ccccc2)cc1~c1ccc(P(c2ccccc2)c2ccccc2)cc1~c1ccc(P(c2ccccc2)c2ccccc2)cc1~c1ccc(P(c2ccccc2)c2ccccc2)cc1>>COc1ccc(-c2ccc(C(=O)N(C)Cc3cccc(OC)c3)s2)cc1 | 864 |
CN(CCO)c1ccnc(CO)c1Cl.ClCCl.O=S(Cl)Cl>>CN(CCO)c1ccnc(CCl)c1Cl | 594 |
CC(C)=O.CCC(CC)(c1ccc(O)c(C)c1)c1cc(C)cs1.COC(=O)CBr.O=C([O-])[O-]~[K+]~[K+]>>CCC(CC)(c1ccc(OCC(=O)OC)c(C)c1)c1cc(C)cs1 | 557 |
CC(C)ON=C(C(=O)O)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1.CCOC(C)=O.CN(C)C=O.ClCCl.NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CCl)CS[C@H]12.O.O=P(Cl)(Cl)Cl.[Na+]~[OH-]>>CC(C)ON=C(C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CCl)CS[C@H]12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1 | 587 |
COc1ccc(C2=C(CCCCCCO)c3ccc(OC)cc3CCC2)cc1.C[S-].[Na+]>>OCCCCCCC1=C(c2ccc(O)cc2)CCCc2cc(O)ccc21 | 20 |
C1CCOC1.CC(C)(C)OC(=O)C(C)(C)Sc1nc(CCO)cs1.CCOC(=O)[N+](=[N-])C(=O)OCC.Oc1ccc(I)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1>>CC(C)(C)OC(=O)C(C)(C)Sc1nc(CCOc2ccc(I)cc2)cs1 | 478 |
BrC1CCCC1.CN(C)C=O.O=C([O-])[O-]~[K+]~[K+].O=Cc1ccc(OC(F)F)c(O)c1>>O=Cc1ccc(OC(F)F)c(OC2CCCC2)c1 | 153 |
CC(C)(C)[Si](C)(C)Cl.CC(C)(C)c1ccc(O)c(C=O)c1.CN(C)C=O.c1c[nH]cn1>>CC(C)(C)c1ccc(O[Si](C)(C)C(C)(C)C)c(C=O)c1 | 746 |
CC(C)(C)NC(=O)OC[C@H]1C[C@@H](NS(=O)(=O)c2cc(Br)ccc2Br)CN1.CCN(C(C)C)C(C)C.ClCCl.N#CBr.NC(CO)(CO)CO>>CC(C)(C)NC(=O)OC[C@H]1C[C@@H](NS(=O)(=O)c2cc(Br)ccc2Br)CN1C#N | 532 |
CO.COC(=O)c1ncc(OC)nc1C.[Na+]~[OH-]>>COc1cnc(C(=O)O)c(C)n1 | 152 |
CCOC(C)=O.Cc1ccccc1.O.O=C([O-])[O-]~[K+]~[K+].O=c1[nH]c2ccc(Br)cc2n1Cc1ccccc1.OB(O)c1cccc(Cl)c1.[Pd]~c1ccc(P(c2ccccc2)c2ccccc2)cc1~c1ccc(P(c2ccccc2)c2ccccc2)cc1~c1ccc(P(c2ccccc2)c2ccccc2)cc1~c1ccc(P(c2ccccc2)c2ccccc2)cc1>>O=c1[nH]c2ccc(-c3cccc(Cl)c3)cc2n1Cc1ccccc1 | 909 |
CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc4[nH]cc(-c5cnn(CCc6ccccc6)c5)c4c3)cn2)CC1.ClCCl~O=C(O)C(F)(F)F>>c1ccc(CCn2cc(-c3c[nH]c4ncc(-c5cnn(C6CCNCC6)c5)cc34)cn2)cc1 | 575 |
CC#N.CC#N~O.CO~ClCCl.NC1CCOCC1.O=C(CBr)NCc1ccccc1.O=C(O)CBr>>O=C(CBr)NC1CCOCC1 | 230 |
CCOC(=O)N(CC(=O)OC(C)(C)C)C(=O)c1c(Br)ccc2c(C(F)(F)F)c(OC)ccc12.O.O=CO>>CCOC(=O)N(CC(=O)O)C(=O)c1c(Br)ccc2c(C(F)(F)F)c(OC)ccc12 | 278 |
CCN(CC)CC.CN(C)C(On1nnc2cccnc21)=[N+](C)C~F[P-](F)(F)(F)(F)F.CN(C)C=O.CNC~Cl.O=C(O)c1ccc(Br)cn1>>CN(C)C(=O)c1ccc(Br)cn1 | 605 |
CC(=O)O.CN(C)C=O.CN1CCC(CO)C1.Nc1c(F)c(F)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1.[H-].[Na+]>>CN1CCC(COc2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1 | 636 |
C=CCO[C@@H]1[C@@H](CO)O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@@H]1O.CC(C)(C)[Si](Cl)(c1ccccc1)c1ccccc1.CCCCCC.CCN(CC)CC.CCOC(C)=O.CN(C)c1ccncc1.ClCCl.O=P12OP3(=O)OP(=O)(O1)OP(=O)(O2)O3>>C=CCO[C@@H]1[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@@H]1O | 602 |
COC(=O)Cc1ccc2c(c1)OCO2.COc1cc(C(=O)O)ccc1[N+](=O)[O-].ClCCCl.O=P12OP3(=O)OP(=O)(O1)OP(=O)(O2)O3>>COC(=O)Cc1cc2c(cc1C(=O)c1ccc([N+](=O)[O-])c(OC)c1)OCO2 | 275 |
CO.COC(=O)CSCc1ccc(Cl)cc1.CO[Na].NO>>O=C(CSCc1ccc(Cl)cc1)NO | 376 |
CCN(CC)CC.CCOCC~FB(F)F.COc1cccc(CC(=O)O)c1.Cc1ccccc1.NCc1ccccc1Cl>>COc1cccc(CC(=O)NCc2ccccc2Cl)c1 | 599 |
C1CCOC1.CC(C)COC(=O)Cl.CCN(CC)CC.CCOP(=O)(CCN)OCC.COc1c(C)c2c(c(OCC[Si](C)(C)C)c1CC=C(C)CCC(=O)O)C(=O)OC2.O=C(O)C(=O)O>>CCOP(=O)(CCNC(=O)CCC(C)=CCc1c(OC)c(C)c2c(c1OCC[Si](C)(C)C)C(=O)OC2)OCC | 230 |
C1CCNCC1.CC(C)(C)OC(=O)N1CC(c2nccnc2Cl)C1.CCN(CC)CC.CS(C)=O.O>>CC(C)(C)OC(=O)N1CC(c2nccnc2N2CCCCC2)C1 | 505 |
CCOC(=O)CCn1cc(C=C2C(=O)Nc3ccccc32)c2ccccc21.CO.Cl.[Li+].[OH-]>>O=C(O)CCn1cc(C=C2C(=O)Nc3ccccc32)c2ccccc21 | 7 |
NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=C(O)c1c(-c2ccccc2)c2ccccc2[nH]c1=O>>O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O | 790 |
Cc1ccc(C)n1-c1cccc(CC(=O)N2CCc3cc(N)ccc32)n1.ClCCl.O.O=C(Cl)c1ccccc1Br>>Cc1ccc(C)n1-c1cccc(CC(=O)N2CCc3cc(NC(=O)c4ccccc4Br)ccc32)n1 | 11 |
CO.O=C(O)c1ccc(O)c2ncccc12.O=S(=O)(O)O>>COC(=O)c1ccc(O)c2ncccc12 | 33 |
CC(C)(C)c1cccc(S(=O)(=O)Cl)c1.CN(C)C=O.Cc1c[nH]c2ccc(C(F)(F)F)cc12.Cl.[H-]~[Na+]>>Cc1cn(S(=O)(=O)c2cccc(C(C)(C)C)c2)c2ccc(C(F)(F)F)cc12 | 648 |
CN(C)C=O.COCc1cnc(Cl)c(Cl)c1.Cl[Pd]Cl~[Fe+2]~c1ccc(P(c2ccccc2)[c-]2cccc2)cc1~c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.[Ar]~[Zn].[C-]#N~[C-]#N~[Zn+2]>>COCc1cnc(C#N)c(Cl)c1 | 726 |
CCO.Cl~NO.O.O=Cc1c(Cl)cccc1Cl.[Na+]~[OH-]>>ON=Cc1c(Cl)cccc1Cl | 30 |
ClC(Cl)Cl.O=C(O)C(CCBr)(c1ccccc1)c1ccccc1.O=S(Cl)Cl>>O=C(Cl)C(CCBr)(c1ccccc1)c1ccccc1 | 53 |
CCN(C(C)C)C(C)C.CN(C)C(On1nnc2ccccc21)=[N+](C)C~F[B-](F)(F)F.CN(C)C=O.NCc1ccccc1N1CCOCC1.O.O=C(O)c1ccc2[nH]nc(I)c2c1>>O=C(NCc1ccccc1N1CCOCC1)c1ccc2[nH]nc(I)c2c1 | 753 |
CCN(CC)CC.CCOC(C)=O.CCOc1ccc(O)cc1.CN(C)C=O.CS(=O)(=O)Cl.O=C([O-])[O-].OCc1ccnc(F)c1.[K+].[K+]>>CCOc1ccc(OCc2ccnc(F)c2)cc1 | 347 |
CCN(CC)CC.CN(CCN1CCN(c2nccnc2-c2ccc(CO)cc2)CC1)S(=O)(=O)c1cnn(C)c1.CS(=O)(=O)Cl.ClCCl.O.[Cl-].[Na+]>>CN(CCN1CCN(c2nccnc2-c2ccc(COS(C)(=O)=O)cc2)CC1)S(=O)(=O)c1cnn(C)c1 | 0 |
CC1CC(O)(CN)CCC1(F)F.CCN(C(C)C)C(C)C.CN(C)C=O.Cl.ClCCCl.O=C(O)c1cn(C2CCCO2)c2cccc(Cl)c12.On1nnc2ccccc21>>CC1CC(O)(CNC(=O)c2cn(C3CCCO3)c3cccc(Cl)c23)CCC1(F)F | 674 |
CCC(=O)Cl.COc1cccc(Br)c1>>CCC(=O)c1ccc(OC)cc1Br | 31 |
BrB(Br)Br.COc1cc(Cl)cc(OC)c1.ClCCl.O>>Oc1cc(O)cc(Cl)c1 | 20 |
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.COc1c(C(C)=O)cc(Cl)c(C)c1-c1ccc(C(=O)O)c(F)c1.Cl~N#CC1CNC1>>COc1c(C(C)=O)cc(Cl)c(C)c1-c1ccc(C(=O)N2CC(C#N)C2)c(F)c1 | 44 |
CO.ClCCl.O.O=C(Cc1ccccc1F)C1CCN(Cc2ncc[nH]c2=O)CC1.[BH4-].[Na+]>>O=c1[nH]ccnc1CN1CCC(C(O)Cc2ccccc2F)CC1 | 91 |
CC#N.CC(C)Oc1ccc(NC(=O)N2CCN(c3ncnc(N)c3C=NOCCN)CC2)cc1.CCN=C=O>>CCNC(=O)NCCON=Cc1c(N)ncnc1N1CCN(C(=O)Nc2ccc(OC(C)C)cc2)CC1 | 244 |
CC(C)(C)[Si](C)(C)Oc1cccc(C#N)c1.CO.[Pd]>>CC(C)(C)[Si](C)(C)Oc1cccc(CN)c1 | 175 |
CO.CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](N=[N+]=[N-])[C@@H]1O[Si](C)(C)C(C)(C)C.N>>CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](N=[N+]=[N-])[C@@H]1O | 708 |
CC#N.ClCCCBr.O=C([O-])[O-].O=C1Cc2ccccc2N1.[K+].[K+]>>O=C1Cc2ccccc2N1CCCCl | 367 |
CCO.COC(=O)c1ccc(N(C)C)cc1OC1CCN(C(=O)OC(C)(C)C)CC1.O.[K+].[OH-]>>CN(C)c1ccc(C(=O)O)c(OC2CCN(C(=O)OC(C)(C)C)CC2)c1 | 247 |
Cc1ccc(-c2ncc(C(=O)NCC3(O)CCN(C(=O)OC(C)(C)C)CC3)n2N)cc1.O.O=C([O-])O.O=CO.[Na+]>>Cc1ccc(-c2ncc(C(=O)NCC3(O)CCNCC3)n2N)cc1 | 575 |
C1CCOC1.CC(C)(C)[O-]~[K+].CI.FC(F)(F)Oc1ccc2[nH]nc(I)c2c1>>Cn1nc(I)c2cc(OC(F)(F)F)ccc21 | 229 |
CCN(C(C)C)C(C)C.CCO.Cl~NCCc1c[nH]c2cc(Cl)ccc12.O=Cc1cccc(OCC(F)F)c1.O=S(=O)([O-])[O-]~[Na+]~[Na+].[BH4-]~[Na+]>>FC(F)COc1cccc(CNCCc2c[nH]c3cc(Cl)ccc23)c1 | 468 |
CC(O)C#Cc1ccc(O)cc1.CN(C)C=O.CS(=O)(=O)OCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl.O=C([O-])[O-]~[K+]~[K+]>>CC(O)C#Cc1ccc(OCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)cc1 | 702 |
CO.COC(=O)C=Cc1cccc(S(=O)(=O)NCc2cccc3ccccc23)c1>>O=C(O)C=Cc1cccc(S(=O)(=O)NCc2cccc3ccccc23)c1 | 58 |
C1CCOC1.CCOC(=O)[C@@H](Cc1ccc(Br)c(Br)c1)OC(=O)N1CCC(N2CCc3ccccc3NC2=O)CC1.O.O.O.O.O.O.O.[Li]O>>O=C(O)[C@@H](Cc1ccc(Br)c(Br)c1)OC(=O)N1CCC(N2CCc3ccccc3NC2=O)CC1 | 7 |
CCO.COC(=O)c1ccc2c(c1)nc(-c1ccc(OCc3cc([N+](=O)[O-])ccc3-c3ccc(Cl)cc3)cc1F)n2C1CCCCC1.Cl[Sn]Cl.O.O>>COC(=O)c1ccc2c(c1)nc(-c1ccc(OCc3cc(N)ccc3-c3ccc(Cl)cc3)cc1F)n2C1CCCCC1 | 706 |
C1CCOC1~CO~O.COC(=O)c1sc(C#CC(C)(C)C)cc1N1C(=O)[C@H](CCO)CCC1C1CCCCC1.Cl.O~[Li]O>>CC(C)(C)C#Cc1cc(N2C(=O)[C@H](CCO)CCC2C2CCCCC2)c(C(=O)O)s1 | 152 |
C1COCCN1.CC(=O)O[BH-](OC(C)=O)OC(C)=O~[Na+].CN(c1cc(OC(F)(F)F)cc2cc(C(=O)NCC(C=O)SCc3ccccc3)[nH]c12)S(=O)(=O)c1cccs1.ClCCCl.O>>CN(c1cc(OC(F)(F)F)cc2cc(C(=O)NCC(CN3CCOCC3)SCc3ccccc3)[nH]c12)S(=O)(=O)c1cccs1 | 484 |
C1CCOC1.C1CCOC1~CCOC(C)=O.Cc1cc(C2CO2)cnc1Br.NCCO>>Cc1cc(C(O)CNCCO)cnc1Br | 16 |