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stringlengths 25
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CCN(CC)CC.CS(=O)(=O)Cl.ClCCl.O=S(=O)(Nc1cc(-c2ccc3ncc(N4CCNCC4)nc3c2)cnc1Cl)c1ccccc1>>CS(=O)(=O)N1CCN(c2cnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccccc5)c4)cc3n2)CC1 | 584 |
BrB(Br)Br.COc1ccc2c(c1)CCN(c1ccccc1)C2Cc1ccc(Br)cc1.ClCCl.O.O=C([O-])O.[Na+]>>Oc1ccc2c(c1)CCN(c1ccccc1)C2Cc1ccc(Br)cc1 | 207 |
CO.COC(=O)CCCCCc1cccc2cncn12.NO>>O=C(CCCCCc1cccc2cncn12)NO | 376 |
C1CCOC1.CCN(CC)CC.Nc1ccc2[nH]ncc2c1.O.O=C(Cl)CCl.O=C([O-])[O-]~[Na+]~[Na+]>>O=C(CCl)Nc1ccc2[nH]ncc2c1 | 9 |
CN(C)C=O.Cc1cc(O)ccc1CCCCn1ccnn1.FC(F)(F)c1ccc(-c2ccc(CCl)cn2)cc1.O.[H-].[Na+]>>Cc1cc(OCc2ccc(-c3ccc(C(F)(F)F)cc3)nc2)ccc1CCCCn1ccnn1 | 678 |
CC(=O)N(C)C.CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(O)c(F)c1.Cc1ccc(S(=O)(=O)OCCCS(C)(=O)=O)cc1.O.O=C([O-])[O-]~[Cs+]~[Cs+]>>CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(OCCCS(C)(=O)=O)c(F)c1 | 438 |
CCO.O=C(c1ccc(Cl)cc1)c1ccccc1Cl.[BH4-].[Na+]>>OC(c1ccc(Cl)cc1)c1ccccc1Cl | 157 |
CC(C)(C)OC(=O)N1CC(C(=O)Nc2cc(Oc3cc(F)c(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccn2)C1.ClCl.O=C(O)C(F)(F)F.O=C([O-])O.[Na+]>>O=C(Nc1cc(Oc2cc(F)c(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2F)ccn1)C1CNC1 | 575 |
ClCCl.OCc1cccc2c1OCCO2.[Mn+4]~[O-2]~[O-2]>>O=Cc1cccc2c1OCCO2 | 179 |
CC(C)O.CCOC(C)=O.Cl.NS(=O)(=O)c1ccccc1Nc1ccnc(Cl)n1.Nc1ccc2cn[nH]c2c1.O.O=C([O-])O.[Na+]>>NS(=O)(=O)c1ccccc1Nc1ccnc(Nc2ccc3cn[nH]c3c2)n1 | 808 |
COC(=O)Cl.Cl.O.O=C([O-])[O-].OCC1CCNCC1.[K+].[K+]>>COC(=O)N1CCC(CO)CC1 | 219 |
CCO.COc1ccc(C(=O)CBr)cc1.NC(N)=S>>COc1ccc(-c2csc(N)n2)cc1 | 716 |
C1COCCO1.CC(C)(C)NS(=O)(=O)c1ccc(Br)c2ccccc12.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cl[Pd]Cl~[Fe+2]~c1ccc(P(c2ccccc2)[c-]2cccc2)cc1~c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.O=C([O-])[O-]~[K+]~[K+]>>CC(C)(C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c2ccccc12 | 942 |
Br~C[C@H]1CCCN1.CS(=O)(=O)OCCc1cc2cc(-c3ccc(C#N)cc3)ccc2o1>>C[C@H]1CCCN1CCc1cc2cc(-c3ccc(C#N)cc3)ccc2o1 | 496 |
O=C(c1ccccc1)C1CC1.O=[N+]([O-])O>>O=C(c1cccc([N+](=O)[O-])c1)C1CC1 | 21 |
CCN(C(C)C)C(C)C.CCN=C=NCCCN(C)C.CCOC(C)=O.CN(C)C=O.Cc1cc(N2CCN(Cc3ccc(C(F)(F)F)cc3)C2=O)sc1C(=O)O.Cl.NCc1cccnc1.On1nnc2ccccc21>>Cc1cc(N2CCN(Cc3ccc(C(F)(F)F)cc3)C2=O)sc1C(=O)NCc1cccnc1 | 736 |
CC(C(=O)OCc1ccccc1)c1cccc(NC(=O)NCC(=O)N2[C@H](C(=O)OC(C)(C)C)CS[C@@H]2c2cccc(F)c2F)c1.CO.O=C[O-]~[NH4+].[Na+]~[OH-].[Pd]>>CC(C(=O)O)c1cccc(NC(=O)NCC(=O)N2[C@H](C(=O)OC(C)(C)C)CS[C@@H]2c2cccc(F)c2F)c1 | 186 |
CCO.CCOC(=O)CC1(C)CCOCC1.O.[Na+]~[OH-]>>CC1(CC(=O)O)CCOCC1 | 7 |
C=CCCO.CC1(C)[C@H](C=C2CCC2)[C@H]1C(=O)O>>C=CCCOC(=O)[C@@H]1[C@@H](C=C2CCC2)C1(C)C | 17 |
CC(=O)N(C)C.CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C~F[P-](F)(F)(F)(F)F.C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(N)cn1.O=C(O)c1cc(Cl)c(Br)c(OC(F)(F)F)c1>>C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(NC(=O)c2cc(Cl)c(Br)c(OC(F)(F)F)c2)cn1 | 759 |
CCO.C[C@@H](N)CO.O=C([O-])[O-]~[K+]~[K+].O=Cc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1>>C[C@H](CO)N=Cc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 | 52 |
C1CCOC1.CCn1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)c1.O=C(Cc1ccccc1F)N=C=S>>CCn1cnc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5F)cc4F)c3s2)c1 | 961 |
CCO.COC(=O)c1ccc(Cc2cccc(C(F)(F)F)c2)cc1.[Na+].[OH-]>>O=C(O)c1ccc(Cc2cccc(C(F)(F)F)c2)cc1 | 247 |
CO.COC(=O)c1cnc(Nc2cccc(Cl)c2)nc1C(F)(F)F.[K+]~[OH-]>>O=C(O)c1cnc(Nc2cccc(Cl)c2)nc1C(F)(F)F | 152 |
C1CCOC1.C=CC(=O)Cl.CCN(C(C)C)C(C)C.Cl~Nc1ncnc(NC[C@@H]2CCNC[C@H]2O)c1-c1ccc(Oc2ccccc2)cc1>>C=CC(=O)N1CC[C@@H](CNc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)[C@H](O)C1 | 135 |
CC(=O)O[BH-](OC(C)=O)OC(C)=O~[Na+].ClCCl.O=C(CF)CF.O=C([O-])O~[Na+].OCC1CCNCC1>>OCC1CCN(C(CF)CF)CC1 | 187 |
CCN(C(C)C)C(C)C.CCOC(=O)N1CCNCC1.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.C[C@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(-c2ccccc2)n1)C(=O)O.ClCCl.F[P-](F)(F)(F)(F)F>>CCOC(=O)N1CCN(C(=O)[C@H](C)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 | 146 |
CN(C)C=O.Cc1cccc(C)c1CCCBr.O=C([O-])[O-]~[K+]~[K+].c1ccc2[nH]c(CN3CCCCC3)nc2c1>>Cc1cccc(C)c1CCCn1c(CN2CCCCC2)nc2ccccc21 | 276 |
O=C(Cl)Oc1ccc([N+](=O)[O-])cc1.OCCc1ccsc1>>O=C(OCCc1ccsc1)Oc1ccc([N+](=O)[O-])cc1 | 662 |
CC(C)(C)OC(=O)N1CCNCC1.CC(C)(C)[O-]~[Na+].Cc1ccccc1.Fc1ccc(N2N=C(C(F)(F)C(F)(F)F)CC2c2cccc(Br)c2)c(F)c1.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>>CC(C)(C)OC(=O)N1CCN(c2cccc(C3CC(C(F)(F)C(F)(F)F)=NN3c3ccc(F)cc3F)c2)CC1 | 953 |
CC(C)OCCOc1nc(Cl)c(C(F)(F)F)cc1C#N.CS(C)=O.O.O=C([O-])[O-].OB1OCc2cc(O)ccc21.[Cs+].[Cs+]>>CC(C)OCCOc1nc(Oc2ccc3c(c2)COB3O)c(C(F)(F)F)cc1C#N | 516 |
CN(C)C=O.ClC(Cl)Cl.O=P(Cl)(Cl)Cl.O=[N+]([O-])c1cnc(O)c(Br)c1>>O=[N+]([O-])c1cnc(Cl)c(Br)c1 | 41 |
CC(C)(C)NS(=O)(=O)c1cccc(B(O)O)c1.FC(F)(F)c1cc(-c2ccc(Cl)cc2Cl)nc(-c2cccc(Br)c2)n1>>CC(C)(C)NS(=O)(=O)c1cccc(-c2cccc(-c3nc(-c4ccc(Cl)cc4Cl)cc(C(F)(F)F)n3)c2)c1 | 837 |
C1CCOC1.CCCc1noc2ccc(C(=O)OC)cc12.CO.O.[Li+].[OH-]>>CCCc1noc2ccc(C(=O)O)cc12 | 247 |
C1CCOC1.CCCP(=O)=O.CCN(C(C)C)C(C)C.CCOC(C)=O.Cc1cc(C(=O)O)ccn1.Nc1ccn2cc(-c3ccccc3)nc2n1>>Cc1cc(C(=O)Nc2ccn3cc(-c4ccccc4)nc3n2)ccn1 | 744 |
CCN.CSC(=C[N+](=O)[O-])NCCSCc1[nH]cnc1C>>CCNC(=C[N+](=O)[O-])NCCSCc1[nH]cnc1C | 270 |
CO.CSc1ncc2ccc(=O)n(Cc3ccccc3Br)c2n1.O.O=S([O-])OO.[K+]>>CS(=O)(=O)c1ncc2ccc(=O)n(Cc3ccccc3Br)c2n1 | 840 |
C1CCOC1.CCCc1cc(OCc2ccccc2)ccc1OCC(=O)OCC.[H][H].[Pd]>>CCCc1cc(O)ccc1OCC(=O)OCC | 23 |
CC(C)Oc1cccc(CCc2cc(Nc3ccnc(Cl)n3)n[nH]2)c1.CCN(C(C)C)C(C)C.COCCO.Cc1cc(CN)on1.Cl>>Cc1cc(CNc2nccc(Nc3cc(CCc4cccc(OC(C)C)c4)[nH]n3)n2)on1 | 544 |
COc1cc(C(=O)O)ccc1OC(C)C.ClCCl.O=S(Cl)Cl>>COc1cc(C(=O)Cl)ccc1OC(C)C | 3 |
CS(C)=O.NS(=O)(=O)c1cnc(Cl)c(Br)c1.O=C([O-])[O-]~[Cs+]~[Cs+].Oc1ccc(F)cc1F>>NS(=O)(=O)c1cnc(Oc2ccc(F)cc2F)c(Br)c1 | 516 |
CC(C)(NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCc2cc([N+](=O)[O-])ccc2NC1=O.CO.[Cl-].[NH4+].[Zn]>>CC(C)(NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCc2cc(N)ccc2NC1=O | 1 |
CCO.CCOC(=O)C1(CNc2ccc(OC)c(C)c2C)CCC1.[K+]~[OH-]>>COc1ccc(NCC2(C(=O)O)CCC2)c(C)c1C | 281 |
CC#N.CC(C)(C)CC(=O)Cl.Cc1cccc2nc(N)c(-c3cccc(C(F)(F)F)c3)n12.c1ccncc1>>Cc1cccc2nc(NC(=O)CC(C)(C)C)c(-c3cccc(C(F)(F)F)c3)n12 | 399 |
C1CCOC1.C=CC[C@@]1(CO)CC(=O)N([C@H](C)c2ccccc2)C1.CI.CN(C)C=O.CO.[H-].[Na+]>>C=CC[C@@]1(COC)CC(=O)N([C@H](C)c2ccccc2)C1 | 140 |
CCCCCOc1ccc(S(=O)(=O)Cl)cc1.CO.ClCCl.NCCCCCCN.O=C1c2ccccc2C(=O)C1(O)O.[NH4+].[OH-]>>CCCCCOc1ccc(S(=O)(=O)NCCCCCCN)cc1 | 43 |
C1CCOC1.CC(C)[Si](C#Cc1ccc(Br)cc1)(C(C)C)C(C)C.CCCCCC.O.O=Cc1cc(Br)ccc1F.[Li]CCCC>>CC(C)[Si](C#Cc1ccc(C(O)c2cc(Br)ccc2F)cc1)(C(C)C)C(C)C | 379 |
C1COCCO1.CCN(C(C)C)C(C)C.Cl~Fc1ccc(C2CCNCC2)cc1.N#Cc1c(Cl)nc(NCCO)nc1NCCO>>N#Cc1c(NCCO)nc(NCCO)nc1N1CCC(c2ccc(F)cc2)CC1 | 162 |
CC1(C)CCC(C)(C)C1=O.CCOCC.C[Mg]Br.[Cl-]~[NH4+]>>CC1(C)CCC(C)(C)C1(C)O | 514 |
CCOc1nc(Cl)c(N)cc1C(=O)O.NCC1CCN(Cc2cc(-c3ccccc3)no2)CC1>>CCOc1nc(Cl)c(N)cc1C(=O)NCC1CCN(Cc2cc(-c3ccccc3)no2)CC1 | 674 |
CO.Cc1cc2cc([N+](=O)[O-])ccc2o1.[Pd]>>Cc1cc2cc(N)ccc2o1 | 1 |
C1CCOC1.C1CCOC1~ClCCl.CC(C)(C)OC(=O)NCC(=O)O.CC(C)COC(=O)Cl.CCN(CC)CC.c1ccc(COc2ccc(N3CCNCC3)cc2)cc1>>CC(C)(C)OC(=O)NCC(=O)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 | 146 |
Cc1c(Nc2c(C#N)cncc2-c2cc3cc(CN4CCN(C(=O)OC(C)(C)C)CC4)ccc3o2)cc(Cl)c2[nH]ccc12.ClCCl.O=C(O)C(F)(F)F>>Cc1c(Nc2c(C#N)cncc2-c2cc3cc(CN4CCNCC4)ccc3o2)cc(Cl)c2[nH]ccc12 | 575 |
CC(=O)O.CNC(=O)c1ccc(Oc2cc3c(cc2I)CCNCC3)nc1.CO.O=C1CCC1>>CNC(=O)c1ccc(Oc2cc3c(cc2I)CCN(C2CCC2)CC3)nc1 | 187 |
COc1ccc(C=O)cc1Cl.Nc1cccc(-c2c(Cc3ccccc3)cnc3c(C(F)(F)F)cccc23)c1>>COc1ccc(CNc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1Cl | 359 |
CCCC(CCC)N1CCc2c(C(=O)O)cccc2C1=O.CCN(C(C)C)C(C)C.CCN=C=NCCCN(C)C.Cl.Cl.ClCCl.N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(C(F)(F)F)c1.O.Oc1cccc2[nH]nnc12>>CCCC(CCC)N1CCc2c(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CNCc3cccc(C(F)(F)F)c3)cccc2C1=O | 836 |
CC(=O)[O-]~CC(=O)[O-]~[Pd+2].CS(C)=O.Cc1ccc(B(O)O)cc1.Cc1ccc(C)cc1.N#Cc1ccccc1Cl.O.OCCN(CCO)CCO.O~O=S(=O)([O-])c1cccc(P(c2cccc(S(=O)(=O)[O-])c2)c2cccc(S(=O)(=O)[O-])c2)c1~[Na+]~[Na+]~[Na+].[F-]~[K+]>>Cc1ccc(-c2ccccc2C#N)cc1 | 892 |
CCN(C(C)C)C(C)C.CCOC(=O)c1nc(CN)no1.CCOC(C)=O.CN(C)C=O.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.Cl.Cl.F[P-](F)(F)(F)(F)F.O=C(O)c1ccc(Cl)s1>>CCOC(=O)c1nc(CNC(=O)c2ccc(Cl)s2)no1 | 736 |
CCOC(C)=O.CN(CCCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=O)OC(C)(C)C.Cl.O=C([O-])O.[Na+]>>CNCCCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1 | 575 |
CC(C)O.CCN(C(C)C)C(C)C.Clc1cccc(-c2cnn3ccc(Cl)nc23)c1.NC1CCC(=O)CC1.O=C([O-])O~[Na+]>>O=C1CCC(Nc2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1 | 166 |
NNc1ccccn1.O=C(O)c1ccncc1Nc1ccc(I)cc1F>>O=C(NNc1ccccn1)c1ccncc1Nc1ccc(I)cc1F | 55 |
COc1cc2c3c(nc4ccccc4c3c1)-c1ccc(Cl)cc1N2.COc1cc2c3c(nc4ccccc4c3c1)-c1ccc(Cl)cc1N2C.[Al+3]~[Cl-]~[Cl-]~[Cl-].c1ccccc1>>CN1c2cc(Cl)ccc2-c2nc3ccccc3c3cc(O)cc1c23 | 48 |
CC(=O)N[C@@H](C)COc1cc2oc(-c3ccc(O)c(F)c3)nc2cn1.CN(C)C=O.CS(=O)(=O)OCCC1CC1(F)F.O.O=C([O-])[O-].[K+].[K+]>>CC(=O)N[C@@H](C)COc1cc2oc(-c3ccc(OCCC4CC4(F)F)c(F)c3)nc2cn1 | 702 |
C1CCOC1.CC(=O)c1ccc(Br)cc1.CCOC(=O)C(=O)OCC.C[Si](C)(C)[N-][Si](C)(C)C.[Li+]>>CCOC(=O)C(=O)CC(=O)c1ccc(Br)cc1 | 526 |
C1COCCO1.CO.Cc1ncnc2c1c(NCc1cccnc1OCC(F)(F)F)cc(=O)n2OCc1ccccc1.[C]~[OH-]~[OH-]~[Pd+2].[H][H]>>Cc1ncnc2c1c(NCc1cccnc1OCC(F)(F)F)cc(=O)n2O | 630 |
CC1(C)OB(c2cccc(N)c2F)OC1(C)C.COCCOC.C[Si](C)(C)CCOCn1c(C2CC2)nc(Br)c1-c1ccnc(Cl)n1.O=C([O-])[O-].[Cl-].[NH4+].[Na+].[Na+]>>C[Si](C)(C)CCOCn1c(C2CC2)nc(-c2cccc(N)c2F)c1-c1ccnc(Cl)n1 | 937 |
CC(=O)OI1(OC(C)=O)(OC(C)=O)OC(=O)c2ccccc21.CC(C)(C)c1cccc(NC(=O)C2CCc3ccc(Oc4ccnc(-c5nc(CO)c[nH]5)c4)cc3C2)c1.ClCCl.O=C([O-])O~O=S([O-])[O-]~[Na+]~[Na+]~[Na+]>>CC(C)(C)c1cccc(NC(=O)C2CCc3ccc(Oc4ccnc(-c5nc(C=O)c[nH]5)c4)cc3C2)c1 | 287 |
CC(=O)OCCCCO[N+](=O)[O-].ClCCl>>O=[N+]([O-])OCCCCO | 225 |
CC(=O)c1sc(NC(=O)Oc2ccccc2)nc1C.CCN(CC)CC.CS(C)=O.Cl~FC(F)(F)c1ccc(Oc2cccc(C=C3CCNCC3)c2)nc1.O>>CC(=O)c1sc(NC(=O)N2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)CC2)nc1C | 525 |
CCO.COCCOC.O=C(Cl)c1cccc(Br)c1.[Al+3].[Cl-].[Cl-].[Cl-].c1ccccc1>>O=C(c1ccccc1)c1cccc(Br)c1 | 61 |
C1CCOC1.CO.Cl.O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1.[C]~[Pd]>>Nc1ccc(Oc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)cc1 | 335 |
CC(=O)c1cc(C(=O)O)[nH]n1.CCN(C(C)C)C(C)C.CCN=C=NCCCN(C)C~Cl.ClCCl.N#Cc1ccc(-c2ccn(CCN)n2)cc1Cl.On1nnc2ccccc21>>CC(=O)c1cc(C(=O)NCCn2ccc(-c3ccc(C#N)c(Cl)c3)n2)[nH]n1 | 816 |
C1CCOC1.CO.COc1ccc(CNc2ccc(Nc3ncc(Cl)c(-c4cn(S(=O)(=O)c5ccccc5)c5ccccc45)n3)cc2[N+](=O)[O-])cc1.[Pd]>>COc1ccc(CNc2ccc(Nc3ncc(Cl)c(-c4cn(S(=O)(=O)c5ccccc5)c5ccccc45)n3)cc2N)cc1 | 1 |
CC(=O)OI1(OC(C)=O)(OC(C)=O)OC(=O)c2ccccc21.CCC[C@@H]1CC[C@@H](/C=C/CCC2CCC(O)CC2)CC1.ClCCl>>CCC[C@@H]1CC[C@@H](/C=C/CCC2CCC(=O)CC2)CC1 | 87 |
CC(C)(CO)N1CCCC1.CCOC(C)=O.CN(C)C=O.COc1cc([N+](=O)[O-])ccc1Cl.[H-]~[Na+]>>COc1cc([N+](=O)[O-])ccc1OCC(C)(C)N1CCCC1 | 57 |
Br[P+](N1CCCC1)(N1CCCC1)N1CCCC1~F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C.CCc1cnn(C)c1-c1cc(C(=O)O)sc1CC.ClCCl.N[C@@H](Cc1ccccc1C(F)(F)F)CN1C(=O)c2ccccc2C1=O>>CCc1cnn(C)c1-c1cc(C(=O)N[C@@H](Cc2ccccc2C(F)(F)F)CN2C(=O)c3ccccc3C2=O)sc1CC | 736 |
CN(C(=O)OC(C)(C)C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O.Cl>>CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O | 634 |
CN(C)C=O.Cl.O.O=C([O-])[O-]~[Na+]~[Na+].O=[N+]([O-])c1ccc(F)cc1.c1c[nH]cn1>>O=[N+]([O-])c1ccc(-n2ccnc2)cc1 | 701 |
B.C1CCOC1.C1CCOC1.C=CC(CC(=O)OCC)c1cccc(COc2ccc(-c3cc(OC)ccc3F)c(CC(C)(C)C)c2)c1.CC(=O)[O-].Cl.OO.[Na+]>>CCOC(=O)CC(CCO)c1cccc(COc2ccc(-c3cc(OC)ccc3F)c(CC(C)(C)C)c2)c1 | 465 |
CCOC(C)=O.COC(=O)C(O)c1ccc(OC)cc1.COc1ccc(CCN)c(Cl)c1OC>>COc1ccc(C(O)C(=O)NCCc2ccc(OC)c(OC)c2Cl)cc1 | 392 |
C1COCCO1.CO.COc1ccc(Cn2cc3c(n2)c(Cl)nc2ccc(OC)cc23)cc1.Cl.Nc1ccc2cn[nH]c2c1>>COc1ccc2nc(Nc3ccc4cn[nH]c4c3)c3n[nH]cc3c2c1 | 998 |
CN(C)C=O.Nc1nc(N2CCC[C@@H](C(=O)O)C2)ccc1[N+](=O)[O-].O.O=C[O-]~[NH4+].[Zn]>>Nc1ccc(N2CCC[C@@H](C(=O)O)C2)nc1N | 269 |
C=C(C)CCl.CC(C)(C)c1cc2c(cc1O)CC1(CCCCCC1)O2.CN(C)C=O.[H-]~[Na+]>>C=C(C)COc1cc2c(cc1C(C)(C)C)OC1(CCCCCC1)C2 | 119 |
CC#N.CCN(C(C)C)C(C)C.CN1CCC(C(=O)O)CC1~Cl.Cl~Cl~c1cc(-c2nc3ccccc3[nH]2)cc(N2CCNCC2)c1.O=C(n1ccnc1)n1ccnc1>>CN1CCC(C(=O)N2CCN(c3cccc(-c4nc5ccccc5[nH]4)c3)CC2)CC1 | 146 |
CC(=O)[O-].CC(=O)[O-].CC(C)(C)[O-].CCCCN1CCN2CCN(CCCC)P1N(CCCC)CC2.C[C@H]1CNC[C@@H](C)N1.Fc1ccc(-n2ncnc2-c2cc3c(s2)-c2nc(Cl)ccc2OCC3)c(F)c1.[Na+].[Pd+2]>>C[C@H]1CN(c2ccc3c(n2)-c2sc(-c4ncnn4-c4ccc(F)cc4F)cc2CCO3)C[C@@H](C)N1 | 220 |
CC#N.CCN(CC)CC.Cl.O.O=C([O-])[O-].O=C1CCNCC1.O=[N+]([O-])c1ccc(F)cc1.[K+].[K+]>>O=C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 | 26 |
B~C1CCOC1.C1CCOC1.CC(C)c1cccc2c1OC(C(C)C)C(=O)N2.Cl.O=C([O-])O~[Na+]>>CC(C)c1cccc2c1OC(C(C)C)CN2 | 363 |
CC(C)C[AlH]CC(C)C.COC(=O)c1ccnc(C(F)(F)F)n1.ClCCl>>OCc1ccnc(C(F)(F)F)n1 | 546 |
CCOC(C)O.CN(C)c1cccc(N)c1~Cl~Cl.COc1cc2c(Cl)c(C#N)cnc2c(OC)c1OC.O.O=C([O-])[O-]~[Na+]~[Na+].c1ccncc1>>COc1cc2c(Nc3cccc(N(C)C)c3)c(C#N)cnc2c(OC)c1OC | 115 |
CCN=C=NCCCN(C)C.CCOC(C)=O.CCc1nnc(-c2cc(C(=O)O)c(C)cc2C2CC(F)(F)C2)[nH]1.CN(C)C=O.CN(C)c1ccncc1.Cl.Cl.N#Cc1ccc(C2CCNCC2)cc1>>CCc1nnc(-c2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)c(C)cc2C2CC(F)(F)C2)[nH]1 | 44 |
BrBr.Cc1c(C2(C=O)C=CC=CC2)ccc2ccccc12.ClCCl.O=S([O-])[O-].[Na+].[Na+]>>Cc1c(C2(C=O)C=CC=CC2)cc(Br)c2ccccc12 | 98 |
CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)cc2F)CC1.CCO.Cl.NO.O=C([O-])[O-].[Na+].[Na+]>>CC(C)(C)OC(=O)N1CCN(c2ccc(C(=N)NO)cc2F)CC1 | 854 |
CCO.CCOC(=O)c1ccc2[nH]c(-c3ccccc3)cc(=O)c2c1.[Na+].[OH-]>>O=C(O)c1ccc2[nH]c(-c3ccccc3)cc(=O)c2c1 | 5 |
CC(=O)[O-].CC(=O)[O-].CCCCc1nc(C)[nH]c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1.CCN(CC)CC.CCOC(C)=O.COc1cccc(B(O)O)c1.ClCCl.[Cu+2].c1ccncc1>>CCCCc1nc(C)n(-c2cccc(OC)c2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1 | 962 |
CC(C)CN.CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.COc1cc(C2Nc3ccc(C(=N)N)cc3C3c4ccccc4CC23)c(-c2ccc(C(=O)O)cc2)cc1O.F[P-](F)(F)(F)(F)F>>COc1cc(C2Nc3ccc(C(=N)N)cc3C3c4ccccc4CC23)c(-c2ccc(C(=O)NCC(C)C)cc2)cc1O | 334 |
CCO.CO.O=C(O)Cc1ccc(C(F)(F)F)nc1.O=S(=O)(O)O>>CCOC(=O)Cc1ccc(C(F)(F)F)nc1 | 17 |
CC(C)(COc1ccc(Br)cc1)[N+](=O)[O-].CO.O.[Cl-]~[NH4+].[Zn]>>CC(C)(N)COc1ccc(Br)cc1 | 226 |
C1CCOC1.CCN(CC)CC.Clc1nc(Cl)c2c(-c3ccccc3)cccc2n1.NCc1ccccn1>>Clc1nc(NCc2ccccn2)c2c(-c3ccccc3)cccc2n1 | 110 |
CC(C)N=C=NC(C)C.CN(C)C=O.CO.ClCCl.NC1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1.O=C(O)CS(=O)(=O)c1ccccc1.Oc1cccc2[nH]nnc12>>O=C(CS(=O)(=O)c1ccccc1)NC1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 | 230 |
CCO.COC(=O)c1ccc(Br)c([N+](=O)[O-])c1.O.O=C([O-])[O-].O=S([O-])S(=O)[O-].[Na+].[Na+].[Na+].[Na+]>>COC(=O)c1ccc(Br)c(N)c1 | 481 |