text
stringlengths 25
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int64 0
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|---|---|
CCOC(=O)C(Cc1ccc(OCCNC(=O)c2ccc(-c3ccccc3)cc2)cc1)Oc1ccccc1.[Na+].[OH-]>>O=C(NCCOc1ccc(CC(Oc2ccccc2)C(=O)O)cc1)c1ccc(-c2ccccc2)cc1 | 7 |
CC(C)(C)O.CCCC(C)(C#N)NC(=O)OC(C)(C)C.CO.N.[Ni]>>CCCC(C)(CN)NC(=O)OC(C)(C)C | 246 |
CCOC(C)=O.CN(C)C(On1nnc2cccnc21)=[N+](C)C~F[P-](F)(F)(F)(F)F.CN(C)C=O.COc1c(NC(=O)Nc2ccc(Oc3ccnc(NCc4ccccn4)c3)c3ccccc23)cc(C(C)(C)C)cc1C(=O)O.NC1COC1>>COc1c(NC(=O)Nc2ccc(Oc3ccnc(NCc4ccccn4)c3)c3ccccc23)cc(C(C)(C)C)cc1C(=O)NC1COC1 | 334 |
CC(=O)OC(C)=O.Cc1ccc(-c2cnc3c(ccn3COCC[Si](C)(C)C)n2)c(NC2CCCNC2)n1>>CC(=O)N1CCCC(Nc2nc(C)ccc2-c2cnc3c(ccn3COCC[Si](C)(C)C)n2)C1 | 369 |
CC(C)Oc1ccc(B(O)O)cc1.ClCCl.Cl[Pd]Cl.Clc1cc(Cl)nc(Cl)c1.O=P([O-])([O-])[O-].[Fe+2].[K+].[K+].[K+].c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1>>CC(C)Oc1ccc(-c2cc(Cl)cc(Cl)n2)cc1 | 865 |
C1CCOC1~CO~O.Cc1ccc(S(=O)(=O)n2cc(-c3c(C)nn(Cc4cccc(F)c4)c3C)c3cc(-c4ccc(N5CCOCC5)c(NS(C)(=O)=O)c4)cnc32)cc1.[Li+]~[OH-]>>Cc1nn(Cc2cccc(F)c2)c(C)c1-c1c[nH]c2ncc(-c3ccc(N4CCOCC4)c(NS(C)(=O)=O)c3)cc12 | 949 |
CC(=O)O[C@H](C)CCCCn1c(=O)c2c(ncn2C)n(CCCCCCNC(=O)OC(C)(C)C)c1=O.ClCCl.O=C(O)C(F)(F)F>>CC(=O)O[C@H](C)CCCCn1c(=O)c2c(ncn2C)n(CCCCCCN)c1=O | 538 |
CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1.NCCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(Cl)cc2Cl)cc1>>CC(C)(C)OC(=O)N1CCC(C(=O)NCCNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3Oc3ccc(Cl)cc3Cl)cc2)CC1 | 230 |
CCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCCS(=O)(=O)N2CCCC2)c1=O.COCC(C)N>>COCC(C)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCCS(=O)(=O)N2CCCC2)c1=O | 498 |
CI.OC1(c2ccc3ccc4cccnc4c3n2)CCCCC1.[H-].[Na+]>>COC1(c2ccc3ccc4cccnc4c3n2)CCCCC1 | 140 |
C1CCOC1.CCCCCCC.CCN(C(C)C)C(C)C.CCN=C=NCCCN(C)C.CCOC(C)=O.CC[C@H](N)CO.Cl.Cl.O.O=C(O)c1ccc(OCc2c(-c3ccc(F)c(F)c3)noc2CO)nc1.Oc1cccc2[nH]nnc12>>CC[C@@H](CO)NC(=O)c1ccc(OCc2c(-c3ccc(F)c(F)c3)noc2CO)nc1 | 674 |
C1CCOC1.O=C1CCC2(CC1)CC(=O)c1cc(Br)ccc1O2.[BH4-]~[Na+]>>O=C1CC2(CCC(O)CC2)Oc2ccc(Br)cc21 | 91 |
C1CCOC1.CN(C)C=O.N#CCCCl.O.Oc1ccc(O)cc1.[Na+].[OH-]>>N#CCCOc1ccc(O)cc1 | 74 |
CC(C)(C)OC(=O)N1CCC(c2nnn(Cc3ccccc3)n2)CC1.ClCCl.O=C(O)C(F)(F)F>>c1ccc(Cn2nnc(C3CCNCC3)n2)cc1 | 575 |
CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.CN1CC(Cc2ccccc2)CC(C(=O)O)C1.F[P-](F)(F)(F)(F)F.Nc1ccc2c(c1)c(-c1ccncc1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1>>CN1CC(Cc2ccccc2)CC(C(=O)Nc2ccc3c(c2)c(-c2ccncc2)nn3C(c2ccccc2)(c2ccccc2)c2ccccc2)C1 | 365 |
CCCCCCCN(CC)C(=O)Cc1ccc([N+](=O)[O-])cc1.CO.[H][H].[Pd]>>CCCCCCCN(CC)C(=O)Cc1ccc(N)cc1 | 1 |
C1CCNC1.CCO.CN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2.O=Cc1ccc2cccccc1-2>>CN(C)S(=O)(=O)c1ccc2c(c1)C(=Cc1ccc3cccccc1-3)C(=O)N2 | 439 |
CC(C)(C)OC(=O)N1CCCC(Cc2ncn3c2CCc2cc(O)ccc2-3)C1=O.ClC(Cl)Cl.O=C([O-])O~[Na+].O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F.c1ccncc1>>CC(C)(C)OC(=O)N1CCCC(Cc2ncn3c2CCc2cc(OS(=O)(=O)C(F)(F)F)ccc2-3)C1=O | 731 |
CCNCC.[C-]#[N+]CC(=O)OC>>[C-]#[N+]CC(=O)N(CC)CC | 227 |
C1=COCCC1.OCCCCCCCBr>>BrCCCCCCCOC1CCCCO1 | 141 |
CCO.Cc1ccc(N)nc1.O=C(CBr)c1ccc(Br)cc1.O=C([O-])O~[Na+]>>Cc1ccc2nc(-c3ccc(Br)cc3)cn2c1 | 508 |
C1CCOC1.CO.COC(=O)c1sc(N2CCOCC2)c(C#N)c1C(OC)c1ccc2ccccc2c1.O.[Na+].[OH-]>>COC(c1ccc2ccccc2c1)c1c(C(=O)O)sc(N2CCOCC2)c1C#N | 152 |
COc1cccc(N(C)C(=O)c2ccc(Br)s2)c1.OB(O)c1ccc(F)c(F)c1.[Pd]~c1ccc(P(c2ccccc2)c2ccccc2)cc1~c1ccc(P(c2ccccc2)c2ccccc2)cc1~c1ccc(P(c2ccccc2)c2ccccc2)cc1~c1ccc(P(c2ccccc2)c2ccccc2)cc1>>COc1cccc(N(C)C(=O)c2ccc(-c3ccc(F)c(F)c3)s2)c1 | 864 |
CCO.COCc1nnc2c(C(=O)OC)ccc(C(F)(F)F)n12.Cl.[Na+]~[OH-]>>COCc1nnc2c(C(=O)O)ccc(C(F)(F)F)n12 | 152 |
CCO.COC1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4cccc([N+](=O)[O-])c34)ccc2F)CC1.[Pd]>>COC1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4cccc(N)c34)ccc2F)CC1 | 1 |
CC#N~O.CCOC(=O)c1cn(-c2ccc3c(c2)n(C)c(=O)n3C)c(=O)n(C2CCc3c2cccc3C(F)(F)F)c1=O.Cl.O=C([O-])O~[Na+]>>Cn1c(=O)n(C)c2cc(-n3cc(C(=O)O)c(=O)n(C4CCc5c4cccc5C(F)(F)F)c3=O)ccc21 | 171 |
CC#N.CC(C)(C)OC(=O)N1CCNCC1.CCN(C(C)C)C(C)C.COc1cc(CNc2cc(F)ccc2C(=O)C(F)(F)F)cc(OC)c1>>COc1cc(CNc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C(=O)C(F)(F)F)cc(OC)c1 | 26 |
CCOC(C)=O.O=[N+]([O-])c1cnc(-n2cc(C(F)(F)F)cn2)nc1.[Pd]>>Nc1cnc(-n2cc(C(F)(F)F)cn2)nc1 | 660 |
C1COCCO1.N#Cc1c(O)nc(NC2CC2)nc1-c1c(F)cccc1F.O=C([O-])O~[Na+].O=P(Cl)(Cl)Cl>>N#Cc1c(Cl)nc(NC2CC2)nc1-c1c(F)cccc1F | 25 |
CNCc1cc2nc(Cl)nc(N3CCOCC3)c2s1.O=Cc1ccccc1>>CN(Cc1ccccc1)Cc1cc2nc(Cl)nc(N3CCOCC3)c2s1 | 567 |
CCOC(C)=O.Cc1ncc(-c2cccc(N)c2)n1C.Clc1cc(-c2cccs2)ncn1.O=C([O-])[O-].[K+].[K+]>>Cc1ncc(-c2cccc(Nc3cc(-c4cccs4)ncn3)c2)n1C | 161 |
CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.COc1ccc(-c2cccc(N)c2)cc1OC.COc1cccc2cc(C(=O)O)c(=O)oc12.F[P-](F)(F)(F)(F)F>>COc1ccc(-c2cccc(NC(=O)c3cc4cccc(OC)c4oc3=O)c2)cc1OC | 799 |
C1CCOC1.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)CCOc1cccc(Nc2nccc(-c3c(-c4cccc(N)c4)nn4ccccc34)n2)c1.ClCCl.F[P-](F)(F)(F)(F)F.O=C(O)Cc1ccsc1>>CN(C)CCOc1cccc(Nc2nccc(-c3c(-c4cccc(NC(=O)Cc5ccsc5)c4)nn4ccccc34)n2)c1 | 365 |
CC(C)(C)OC(=O)CCN.CCN(CC)CC.CCOC(C)=O.CN(C)C=O.Cl.Nc1nc(Cl)cc(Cl)n1.[Cl-].[NH4+]>>CC(C)(C)OC(=O)CCNc1cc(Cl)nc(N)n1 | 166 |
CC(=O)O.CCOC(C)=O.CO.COC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1N.Cc1cc(C=O)ccc1F.O=C([O-])O.[BH3-]C#N.[Na+].[Na+]>>COC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1NCc1ccc(F)c(C)c1 | 468 |
CO.O=C(O)CCc1cccc(I)c1.O=C([O-])O~[Na+].O=S(Cl)Cl>>COC(=O)CCc1cccc(I)c1 | 17 |
Cc1cccc2c(=O)[nH]c(-c3ccc(C#N)cc3)cc12.Cl.O.[Na+]~[OH-]>>Cc1cccc2c(=O)[nH]c(-c3ccc(C(=O)O)cc3)cc12 | 445 |
CC(=O)OC(C)=O.Nc1ccccc1C(=O)C=Cc1ccncc1.O.[Na+]~[OH-]>>CC(=O)Nc1ccccc1C(=O)C=Cc1ccncc1 | 6 |
CCOC(=O)CN1CCN(C2CCN(C(=O)[C@@H](Cc3cc(Cl)c(N)c(C(F)(F)F)c3)OC(=O)N3CCC(N4CCc5cc(OC)ccc5NC4=O)CC3)CC2)CC1.[Li+]~[OH-]>>COc1ccc2c(c1)CCN(C1CCN(C(=O)O[C@H](Cc3cc(Cl)c(N)c(C(F)(F)F)c3)C(=O)N3CCC(N4CCN(CC(=O)O)CC4)CC3)CC1)C(=O)N2 | 7 |
CC(=O)O[BH-](OC(C)=O)OC(C)=O~[Na+].CCCN.ClCCCl.O=C1CCc2ccc(Br)cc2C1>>CCCNC1CCc2ccc(Br)cc2C1 | 236 |
C1CCOC1.CCOC(=O)c1cccc(NC(=O)NC2CN(C(=O)CC(C)(C)C)c3ccc(C)cc3N(CC(=O)c3ccccc3C)C2=O)c1.CO.O~[Li+]~[OH-]>>Cc1ccc2c(c1)N(CC(=O)c1ccccc1C)C(=O)C(NC(=O)Nc1cccc(C(=O)O)c1)CN2C(=O)CC(C)(C)C | 5 |
C1CCOC1.CC(C)O.CCOC(=O)Cn1ccnc(Sc2ccccn2)c1=O.CO.ClCCl.[BH4-].[Li+]>>O=c1c(Sc2ccccn2)nccn1CCO | 225 |
C1CCNC1.C1CCOC1.O=C(O)c1ccc2c(=O)nc(-c3ccccn3)sc2c1>>O=C(c1ccc2c(=O)nc(-c3ccccn3)sc2c1)N1CCCC1 | 44 |
CO.O=[N+]([O-])c1cnccc1Nc1cccc(F)c1F.[H][H].[Pd]>>Nc1cnccc1Nc1cccc(F)c1F | 269 |
C1CCOC1.CCOC(=O)CCCn1c(-c2ccc3c(c2)OCO3)nc2ccccc21.[Al+3].[H-].[H-].[H-].[H-].[Li+]>>OCCCCn1c(-c2ccc3c(c2)OCO3)nc2ccccc21 | 225 |
ClC(Cl)Cl.O=S(Cl)Cl.OCc1cccc2cc(Br)ccc12>>ClCc1cccc2cc(Br)ccc12 | 81 |
CC(=O)CCO.CCOC(=O)Cl.ClCCl.c1ccncc1>>CCOC(=O)OCCC(C)=O | 144 |
C1CCOC1.CCOC(=O)C(C)Oc1cc(Cl)ccc1OCC(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C.CO.Cl.O.O~[Li+]~[OH-]>>CC(Oc1cc(Cl)ccc1OCC(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C)C(=O)O | 7 |
Nc1ccc(-c2c[nH]c(=O)cn2)cc1.O=C(Cl)c1ccc([N+](=O)[O-])cc1.[Na+]~[OH-]>>O=C(Nc1ccc(-c2c[nH]c(=O)cn2)cc1)c1ccc([N+](=O)[O-])cc1 | 11 |
C1CCOC1.C=CCBr.CC(O)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1C(F)(F)F.[Cl-]~[Na+].[H-]~[Na+]>>C=CCOC(C)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1C(F)(F)F | 120 |
CCOC(=O)C1(CCCn2c(=O)ccc3ccc(OC)cc32)CCNCC1.CCOC(C)=O.CN(C)C=O.Fc1cccc(SCCBr)c1.O.O=C([O-])[O-]~[K+]~[K+]>>CCOC(=O)C1(CCCn2c(=O)ccc3ccc(OC)cc32)CCN(CCSc2cccc(F)c2)CC1 | 73 |
C1CCOC1.C=CCCC1(O[Si](CC)(CC)CC)CCC(C=C(C)C2OC(=O)C3CCCCN3C(=O)C(=O)C3(O)OC(C(OC)CC(C)CC(C)=CC(CC)C(=O)CC(O[Si](C)(C)C(C)(C)C)C2C)C(OC)CC3C)CC1OC.CC(C)=O.C[N+]1([O-])CCOCC1.O.O=S(=O)([O-])O~[Na+].O=[Os](=O)(=O)=O>>CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(CCC=O)(O[Si](CC)(CC)CC)C(OC)C3)C(C)C(O[Si](C)(C)C(C)(C)C)CC1=O)C(C)CC2OC | 571 |
ClC(Cl)Cl.ClC=CCl.NCCCCN.O=S(=O)(Cl)c1ccc(Cl)cc1>>NCCCCNS(=O)(=O)c1ccc(Cl)cc1 | 43 |
C1COCCO1.CC1(C)OB(c2cc(Cl)c(O)c(Cl)c2)OC1(C)C.Cl[Pd]Cl.O=C([O-])[O-].O=C(c1cnc2ccc(Br)cc2c1N[C@@H]1CC[C@@H](CN2CCCC2)CC1)C1CC1.[Cs+].[Cs+].[Fe+2].c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1>>O=C(c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@@H]1CC[C@@H](CN2CCCC2)CC1)C1CC1 | 933 |
C1CCOC1.CCOC(=O)c1ccc2c(Cl)c[nH]c(=O)c2c1.[BH4-].[Li+]>>O=c1[nH]cc(Cl)c2ccc(CO)cc12 | 311 |
O=C(Cl)OCc1ccccc1.O=C(O)C1CCCCNC1>>O=C(O)C1CCCCN(C(=O)OCc2ccccc2)C1 | 427 |
CCO.Cc1cc(OCOCC[Si](C)(C)C)ccc1C#N.Cl~NO.O=C([O-])O~[Na+]>>Cc1cc(OCOCC[Si](C)(C)C)ccc1C(=N)NO | 854 |
C1COCCN1.CN(C)C(On1nnc2cccnc21)=[N+](C)C~F[P-](F)(F)(F)(F)F.CN(C)C=O.CN1CCOCC1.O.O=C(O)c1ccc(-c2cn3c(I)cnc3cn2)cc1>>O=C(c1ccc(-c2cn3c(I)cnc3cn2)cc1)N1CCOCC1 | 44 |
CCN(C(C)C)C(C)C.CCN=C=NCCCN(C)C.CCOC(=O)[C@@H]1CCCNC1.CN(C)C=O.CN(C)c1ccncc1.Cc1cc(-n2cc3c(n2)CCCC3)ccc1C(Nc1ccc(C(=O)O)cc1)C(C)C.Cl.O.On1nnc2ccccc21>>CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(NC(c3ccc(-n4cc5c(n4)CCCC5)cc3C)C(C)C)cc2)C1 | 44 |
CN1CCCC1=O.O.O=[N+]([O-])c1ccc(Cl)nc1.Oc1ccc2cc[nH]c2c1.[H-]~[Na+]>>O=[N+]([O-])c1ccc(Oc2ccc3cc[nH]c3c2)nc1 | 516 |
C1CCOC1.COC(=O)CN1Cc2ncnc(Oc3ccc4c(ccn4C(=O)Nc4cccc(C(F)(F)F)c4)c3)c2CC1C.[Al+3].[H-].[H-].[H-].[H-].[Li+]>>CC1Cc2c(ncnc2Oc2ccc3c(ccn3C(=O)Nc3cccc(C(F)(F)F)c3)c2)CN1CCO | 343 |
CCO.II.Nc1ccc(-c2ccccc2C(F)(F)F)cc1[N+](=O)[O-].O=S(=O)([O-])[O-].[Ag+2]>>Nc1c(I)cc(-c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] | 372 |
C1CCOC1.CC(C)(C)OC(=O)N1CC(O)C1.CN(C)C=O.O=[N+]([O-])c1cnccc1Cl.[H-].[Na+]>>CC(C)(C)OC(=O)N1CC(Oc2ccncc2[N+](=O)[O-])C1 | 651 |
CC(=O)O.CCN(C(C)C)C(C)C.CCO.CCOc1cc(C=O)cc(OCC)c1-c1ccc(F)cc1.N#CCOc1ccc2oc(NC3CCNCC3)nc2c1.[BH3-]C#N~[Na+]>>CCOc1cc(CN2CCC(Nc3nc4cc(OCC#N)ccc4o3)CC2)cc(OCC)c1-c1ccc(F)cc1 | 567 |
CN.CO.Cc1cccc2cc(C=O)n(C)c12.[BH4-].[Na+]>>CNCc1cc2cccc(C)c2n1C | 775 |
C1CCOC1.CCCC[N+](CCCC)(CCCC)CCCC.CCOc1c(C(C)=O)cc(Cl)c(F)c1C(CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C.[F-]>>CCOc1c(C(C)=O)cc(Cl)c(F)c1C(CO)NC(=O)OC(C)(C)C | 708 |
CN(C)CCCN(C)c1ccc(C(C)(C)C)cc1[N+](=O)[O-].CO.[H][H].[Pd]>>CN(C)CCCN(C)c1ccc(C(C)(C)C)cc1N | 1 |
CCCCCCCCC(O)/C=C/c1cccc(OCC(=O)OC)n1.CO.[Na+]~[OH-]>>CCCCCCCCC(O)/C=C/c1cccc(OCC(=O)O)n1 | 88 |
C1COCCO1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Cl.NCc1ccc(C(=O)O)cc1.O.[Na+]~[OH-]>>CC(C)(C)OC(=O)NCc1ccc(C(=O)O)cc1 | 686 |
CN(C)C=O.COS(=O)(=O)OC.Cc1cccc2c(C(F)(F)F)c(O)ccc12.O=C([O-])[O-].[K+].[K+]>>COc1ccc2c(C)cccc2c1C(F)(F)F | 317 |
CC(C)(C)OC(=O)N1CCNCC1.CCN(CC)CC.ClCCl.O=C(Cl)c1ccccc1C(F)(F)F>>CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 | 201 |
CC(Cl)OC(=O)Cl.CCC(C)CO.ClCCl.c1ccncc1>>CCC(C)COC(=O)OC(C)Cl | 144 |
CCCI.CN(C)C=O.COc1cccc2c1CC(NCCCCN1C(=O)c3ccccc3C1=O)CO2.O.O=C([O-])[O-]~[K+]~[K+]>>CCCN(CCCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1 | 184 |
C1COCCO1.CC(=O)[O-]~CC(=O)[O-]~[Pd+2].N#Cc1ncc(NC(CC(F)(F)F)C(N)=O)nc1Cl.Nc1ccc2ncccc2c1.O=C([O-])[O-]~[K+]~[K+].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1>>N#Cc1ncc(NC(CC(F)(F)F)C(N)=O)nc1Nc1ccc2ncccc2c1 | 780 |
CNCC(O)CO.Cc1ccoc1C(=O)Nc1cccc(C#Cc2cncc(C(=O)N=S(=O)(CCCBr)c3ccccc3)c2)c1>>Cc1ccoc1C(=O)Nc1cccc(C#Cc2cncc(C(=O)N=S(=O)(CCCN(C)CC(O)CO)c3ccccc3)c2)c1 | 73 |
CCO.CCOc1cc2c(c3c1OC(C)(C)C3)C(c1ccccc1)=NC(C)(CN1C(=O)c3ccccc3C1=O)C2.NN~O.[Na+]~[OH-]>>CCOc1cc2c(c3c1OC(C)(C)C3)C(c1ccccc1)=NC(C)(CN)C2 | 242 |
CO.Cl.NC(=O)c1ccccc1[N+](=O)[O-].O=C([O-])[O-].[Fe].[Na+].[Na+]>>NC(=O)c1ccccc1N | 486 |
C#CC(O)(CCC)CCC.O=C(NCCC(O)c1cc(Br)ccc1Cl)C(F)(F)F>>CCCC(O)(C#Cc1ccc(Cl)c(C(O)CCNC(=O)C(F)(F)F)c1)CCC | 659 |
C1CCOC1.COC(=O)[C@@H]1C[C@H](n2cc(-c3cccc(OCc4ccccc4)c3)c3c(N)ncnc32)C1.Cl>>Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2[C@@H]1C[C@H](C(=O)O)C1 | 88 |
CI.CN(C)C=O.COc1cnc(-c2cc[nH]n2)c2[nH]cc(C(=O)C(=O)N3CCN(c4nnnn4-c4ccccn4)CC3)c12.[H-]~[Na+]>>COc1cnc(-c2ccn(C)n2)c2[nH]cc(C(=O)C(=O)N3CCN(c4nnnn4-c4ccccn4)CC3)c12 | 229 |
Cc1cc(Nc2cc3ccccc3c(Cl)n2)n[nH]1.Cc1ccc(O)cc1>>Cc1ccc(Oc2nc(Nc3cc(C)[nH]n3)cc3ccccc23)cc1 | 516 |
CN(C)C=O.COCCOCCBr.O=C([O-])[O-]~[K+]~[K+].O=Cc1cccc(O)c1>>COCCOCCOc1cccc(C=O)c1 | 75 |
CCOC(C)=O.CI.CN(C)C=O.COC(=O)c1cccc(Cc2c(-c3ccccc3)[nH]c3cc(Cl)ccc23)c1.O.[H-]~[Na+]>>COC(=O)c1cccc(Cc2c(-c3ccccc3)n(C)c3cc(Cl)ccc23)c1 | 191 |
C1CCOC1.CC1(O)CCC2(CC1)OCCO2.CI.[H-]~[Na+]>>COC1(C)CCC2(CC1)OCCO2 | 140 |
CN(C)C=O.Cc1nccc(-c2ccc(Cl)cc2F)c1C(=O)O.ClCCl.O=C(Cl)C(=O)Cl.[Cl-]~[NH4+]>>Cc1nccc(-c2ccc(Cl)cc2F)c1C(N)=O | 704 |
COc1ccc2c(N)c(CCOCc3ccccc3)c(=O)oc2c1OC1CCCC1.CS(C)=O.Clc1cncc(Cl)c1Cl.[H-]~[Na+]>>COc1ccc2c(Nc3c(Cl)cncc3Cl)c(CCOCc3ccccc3)c(=O)oc2c1OC1CCCC1 | 115 |
BrCC1CCCCC1.CO.Nc1ncccc1O.O.[Na+]~[OH-]>>Nc1ncccc1OCC1CCCCC1 | 608 |
CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1ccc2ccccc2c1.CN(C)C(On1nnc2cccnc21)=[N+](C)C~F[P-](F)(F)(F)(F)F.CN(C)C=O.CN1CCOCC1.COCCCn1c(C2CCCNC2)nc2ccc(OC)nc21>>COCCCn1c(C2CCCN(C(=O)C[C@@H](Cc3ccc4ccccc4c3)NC(=O)OC(C)(C)C)C2)nc2ccc(OC)nc21 | 146 |
C1CCOC1.CCCC[N+](CCCC)(CCCC)CCCC~[F-].Cc1nc2ccc(C#CC(C)(C)CO[Si](C)(C)C(C)(C)C)cc2n1-c1ncnc(N)n1>>Cc1nc2ccc(C#CC(C)(C)CO)cc2n1-c1ncnc(N)n1 | 708 |
C=CCC(CCOC)C(=O)OCC.CCOCC.O.[Al+3].[H-].[H-].[H-].[H-].[Li+].[Na+].[OH-]>>C=CCC(CO)CCOC | 225 |
CC(=O)[O-].CC(=O)c1ccc(O)cc1.CCO.Cl.NO.O.[Na+]>>CC(=NO)c1ccc(O)cc1 | 212 |
CCCCc1nccn1CCN1C(=O)c2ccccc2C1=O.CCO.NN.O>>CCCCc1nccn1CCN | 242 |
C=C1CC[C@H]2[C@H](CN)[C@@H]([C@@]3(C)CC[C@H](O)C[C@@H]3CO)CC[C@]12C.CCN(C(C)C)C(C)C.CCOC(C)=O.CN(C)C=O.Cc1ccc(C(=O)O)cc1.F[P-](F)(F)(F)(F)F.c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1>>C=C1CC[C@H]2[C@H](CNC(=O)c3ccc(C)cc3)[C@@H]([C@@]3(C)CC[C@H](O)C[C@@H]3CO)CC[C@]12C | 334 |
CO.COC(=O)[C@H](CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C.N>>Cc1c(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(N)=O)c(C)c2c1OC(C)(C)C2 | 432 |
C1CCOC1.CCOC(=O)COc1ccc(S(=O)(=O)N(CCC2CC2)c2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1C.CO.[Na+].[OH-]>>Cc1cc(S(=O)(=O)N(CCC2CC2)c2cccc(-c3ccc(C(F)(F)F)cc3)c2)ccc1OCC(=O)O | 7 |
CC#N.COc1cc2cc[nH]c2cc1OCCCCl.Fc1ccc2c(C3CCNCC3)noc2c1.O.O=C([O-])[O-]~[K+]~[K+]>>COc1cc2cc[nH]c2cc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1 | 138 |
CO.COC(=O)C1CN(C(=O)C2CC2)C2CCN(C(=O)C(NC(=O)OC(C)(C)C)C3CCCCC3)C12.[Na+].[OH-]>>CC(C)(C)OC(=O)NC(C(=O)N1CCC2C1C(C(=O)O)CN2C(=O)C1CC1)C1CCCCC1 | 88 |
CCc1c[nH]c2nccc(Cl)c12.CN(C)C=O.C[Si](C)(C)CCOCCl.[H-].[Na+]>>CCc1cn(COCC[Si](C)(C)C)c2nccc(Cl)c12 | 712 |
C1CCOC1.C=CC(=O)Cl.CCC(O)(CC)C12CC3CC(CC(C3)C1)C2.CCN(CC)CC.O>>C=CC(=O)OC(CC)(CC)C12CC3CC(CC(C3)C1)C2 | 320 |
C1CCOC1.Cc1c(C)c2c(c(C)c1O)SC(CCCC(C)(C)C(=O)O)O2.[Al+3]~[H-]~[H-]~[H-]~[H-]~[Li+]>>Cc1c(C)c2c(c(C)c1O)SC(CCCC(C)(C)CO)O2 | 231 |
Subsets and Splits