smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(C)OC(CCC(=O)C1=C(C=CC(=C1)OC1=C(C=CC=C1)Cl)O)=O>C(Cl)(Cl)(Cl)[H].BrBr.C(C)(=O)[O-].[Na+]>C(C)OC(CCC(=O)C1=C(C(=CC(=C1)OC1=C(C=CC=C1)Cl)Br)O)=O | 3 |
[F-].[Cs+].Cl[C:4]1[C:9]([C:10]#[N:11])=[CH:8][CH:7]=[CH:6][N:5]=1.C([Sn](CCCC)(CCCC)[C:17]1[S:18][CH:19]=[CH:20][CH:21]=1)CCC>CC(C)([P](C(C)(C)C)([Pd][P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C(C)(C)C)C.C(OCC)(=O)C>[S:18]1[CH:19]=[CH:20][CH:21]=[C:17]1[C:4]1[N:5]=[CH:6][CH:7]=[CH:8][C:9]=1[C:10]#[N:11] | 1 |
ClC1=CC=C(C=C1)C(CSCC1=CC=C(C=C1)OC)=O>O(O[H])[H].C(C)(=O)O>ClC1=CC=C(C=C1)C(CS(=O)(=O)CC1=CC=C(C=C1)OC)=O | 3 |
Br[C:2]1[N:6]([CH3:7])[CH:5]=[N:4][C:3]=1[C:8]1[CH:13]=[C:12]([C:14]#[N:15])[CH:11]=[CH:10][N:9]=1.[Cl:16][C:17]1[CH:22]=[CH:21][C:20](B(O)O)=[CH:19][C:18]=1[O:26][CH3:27]>>[Cl:16][C:17]1[CH:22]=[CH:21][C:20]([C:2]2[N:6]([CH3:7])[CH:5]=[N:4][C:3]=2[C:8]2[CH:13]=[C:12]([C:14]#[N:15])[CH:11]=[CH:10][N:9]=2)=[CH:19][C:18]=1[O:26][CH3:27] | 1 |
[SH:1][C:2]1[CH:3]=[C:4]([OH:8])[CH:5]=[CH:6][CH:7]=1.[F:9][C:10]([F:14])([F:13])[CH2:11]I.[Cl:15][C:16]1[CH:17]=[C:18]([N+:23]([O-:25])=[O:24])[CH:19]=[CH:20][C:21]=1F.C(=O)([O-])[O-].[K+].[K+]>CN(C)C=O.O.C(N(CC)CC)C>[Cl:15][C:16]1[CH:17]=[C:18]([N+:23]([O-:25])=[O:24])[CH:19]=[CH:20][C:21]=1[O:8][C:4]1[CH:5]=[CH:6][CH:7]=[C:2]([S:1][CH2:11][C:10]([F:14])([F:13])[F:9])[CH:3]=1 | 2 |
C(OCC[Si](C)(C)C)Cl.IC1=CC2=C(NCC(N2)=O)N=C1>N(C)(C)C=O.C1CCCO1.CS(=O)C.C([O-])([O-])=O.[Na+].[Na+].C[SiH](N([Si](C)(C)C)C)C.[K]>IC1=CC2=C(NCC(N2COCC[Si](C)(C)C)=O)N=C1 | 3 |
CI.ClC1=NC=CC(=C1)C#CC=1N=C(N(C1)C1=CC(NC=N1)=O)C>>ClC1=NC=CC(=C1)C#CC=1N=C(N(C1)C1=CC(N(C=N1)C)=O)C | 5 |
Br[C:2]1[CH:7]=[CH:6][C:5]([O:8][CH3:9])=[CH:4][CH:3]=1.Cl[SiH:11]([CH3:13])[CH3:12]>>[CH3:9][O:8][C:5]1[CH:6]=[CH:7][C:2]([SiH:11]([CH3:13])[CH3:12])=[CH:3][CH:4]=1 | 2 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.NC1(COCC1)C1=CC=C(C(=O)OCC)C=C1>C1(=CC=NC=C1)N(C)C.ClCCl>C(C)(C)(C)OC(=O)NC1(COCC1)C1=CC=C(C(=O)OCC)C=C1 | 3 |
C(=O)OCCCl.C1NCCC2=CC=C(C=C12)O>C1CCCO1.CCN(CC)CC>C(C)OC(=O)N1CC2=CC(=CC=C2CC1)OC(=O)OCC | 3 |
C(C1=CC=CC=C1)OC(=O)N1CCN(CC1)C=1C2=C(N=C(N1)SC)CN(CC2)C(=O)OC(C)(C)C>ClCCl.ClC=1C=C(C(=O)OO)C=CC1>C(C1=CC=CC=C1)OC(=O)N1CCN(CC1)C=1C2=C(N=C(N1)S(=O)(=O)C)CN(CC2)C(=O)OC(C)(C)C | 3 |
[F:1][C:2]([CH:4]([OH:16])[CH2:5][C:6]([C:9]1[CH:14]=[CH:13][C:12]([F:15])=[CH:11][CH:10]=1)([CH3:8])[CH3:7])=[CH2:3].[CH2:17]([Zn]CC)C.ICI.O>C(OCC)(=O)C>[F:1][C:2]1([CH:4]([OH:16])[CH2:5][C:6]([C:9]2[CH:10]=[CH:11][C:12]([F:15])=[CH:13][CH:14]=2)([CH3:8])[CH3:7])[CH2:17][CH2:3]1 | 1 |
C(C1=CC=CC=C1)(=O)N=C=S.C(C)OC(CN)C>C(Cl)(Cl)(Cl)[H].S(O)(O)(=O)=O>C(C)OC(CNC(=S)N)C | 3 |
O1CCN(CC1)C1=CC(=NC2=CC=CC=C12)C1=CC=C(C=C1)NC(OC(C)(C)C)=O>Cl.O1CCOCC1>O1CCN(CC1)C1=CC(=NC2=CC=CC=C12)C1=CC=C(C=C1)N | 3 |
BrC1=C(C#N)C=CC=N1.[N+](=O)([O-])C=1C(=NC(=CC1)[Sn](C)(C)C)NC1=CC=C(C=C1)CO>O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>OCC1=CC=C(C=C1)NC1=C(C=CC(=N1)C1=NC=CC=C1C#N)[N+](=O)[O-] | 3 |
C(C1=CC=CC=C1)OC=1C(=NC(=NC1O)CC1(CCCC1)C1=CC=CC=C1)C(=O)O.[Si](C)(C)(C(C)(C)C)OCCNCC(C)(C)C>>[Si](C)(C)(C(C)(C)C)OCCN(C(=O)C1=NC(=NC(=C1OCC1=CC=CC=C1)O)CC1(CCCC1)C1=CC=CC=C1)CC(C)(C)C | 5 |
BrC=1C=C2C=CNC(C2=CC1F)=O>CC#N.CO[H].P(=O)(Cl)(Cl)Cl.F[B-](F)(F)F.F[B-](F)(F)F.ClC[N+]12CC[N+](CC1)(CC2)F>BrC=1C=C2C(=CNC(C2=CC1F)=O)F | 3 |
BrC1=CC=C(C=C1)CCC.CC=1SC=CN1>>CC=1SC(=CN1)C1=CC=C(C=C1)CCC | 5 |
N1CCC(C(=O)OC)CC1.C(C)(C)(C)C1=NC2=C(N1CC1CCCCC1)C=CC(=C2)C(=O)O>>C(C)(C)(C)C1=NC2=C(N1CC1CCCCC1)C=CC(=C2)C(=O)N2CCC(CC2)C(=O)OC | 5 |
O1CCCC=C1.ClCCCCCCCCO>ClCCl.O.C1(=CC=C(C=C1)S(=O)(=O)O)C>ClCCCCCCCCOC1OCCCC1 | 3 |
ClCl.[C:3]1([CH2:9][CH2:10][CH2:11][CH2:12][PH:13](=[O:22])[O:14][CH2:15][C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1.Cl.[C:24]1([CH2:30][O:31][C:32]([NH:34][CH2:35][CH2:36][CH2:37][CH2:38][C@@H:39]([C:41]([N:43]2[CH2:57][CH2:56][CH2:55][C@H:44]2[C:45]([O:47][CH2:48][C:49]2[CH:54]=[CH:53][CH:52]=[CH:51][CH:50]=2)=[O:46])=[O:42])[NH2:40])=[O:33])[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1>C(Cl)(Cl)(Cl)Cl.C(OCC)(=O)C.ClCCl.CC(C)=O.O1CCCC1.C(N(CC)CC)C>[C:3]1([CH2:9][CH2:10][CH2:11][CH2:12][P:13]([O:14][CH2:15][C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)([NH:40][C@H:39]([C:41]([N:43]2[CH2:57][CH2:56][CH2:55][C@H:44]2[C:45]([O:47][CH2:48][C:49]2[CH:54]=[CH:53][CH:52]=[CH:51][CH:50]=2)=[O:46])=[O:42])[CH2:38][CH2:37][CH2:36][CH2:35][NH:34][C:32]([O:31][CH2:30][C:24]2[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=2)=[O:33])=[O:22])[CH:4]=[CH:5][CH:6]=[CH:7][CH:8]=1 | 1 |
C(C=C)(=O)Cl.FC1=CC=C(C=C1)C1=CC(=C(C=N1)N1CCNCC1)C1=NN(C=C1)C>CO[H].ClCCl.CCN(CC)CC>FC1=CC=C(C=C1)C1=CC(=C(C=N1)N1CCN(CC1)C(C=C)=O)C1=NN(C=C1)C | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([N:11]([CH2:21][C:22]2[CH:30]=[CH:29][C:25]([C:26](O)=[O:27])=[CH:24][CH:23]=2)[C@H:12]([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)[CH2:13][CH3:14])(=[O:10])=[O:9])=[CH:4][CH:3]=1.Cl.[NH2:32][C@H:33]([CH2:38][OH:39])[C:34]([O:36][CH3:37])=[O:35].C(Cl)CCl.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CN1CCOCC1>CN(C=O)C.O>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([N:11]([CH2:21][C:22]2[CH:23]=[CH:24][C:25]([C:26]([NH:32][C@H:33]([CH2:38][OH:39])[C:34]([O:36][CH3:37])=[O:35])=[O:27])=[CH:29][CH:30]=2)[C@H:12]([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)[CH2:13][CH3:14])(=[O:9])=[O:10])=[CH:4][CH:3]=1 | 2 |
Cl[C:2]1[CH2:6][C@H:5]([CH:7]2[CH2:11][CH2:10][CH2:9][CH2:8]2)[N:4]([C:12]2[CH:19]=[CH:18][C:15]([C:16]#[N:17])=[C:14]([CH3:20])[N:13]=2)[N:3]=1.[C:21]([C:24]1[CH:25]=[C:26](B(O)O)[CH:27]=[CH:28][CH:29]=1)(=[O:23])[NH2:22].C(=O)([O-])[O-].[Na+].[Na+].COCCOC>C(OCC)(=O)C.O.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>[C:16]([C:15]1[CH:18]=[CH:19][C:12]([N:4]2[C@@H:5]([CH:7]3[CH2:11][CH2:10][CH2:9][CH2:8]3)[CH2:6][C:2]([C:28]3[CH:29]=[C:24]([CH:25]=[CH:26][CH:27]=3)[C:21]([NH2:22])=[O:23])=[N:3]2)=[N:13][C:14]=1[CH3:20])#[N:17] | 2 |
C1(=CC=CC=C1)C1=CC=C(C=C1)O.BrC1=CC=NC2=CC=C(C=C12)C(=O)OC>[H-].[Na+].CC1(C(N=CN1)=O)C>C1(=CC=CC=C1)C1=CC=C(C=C1)OC1=CC=NC2=CC=C(C=C12)C(=O)O | 3 |
[Br:1][C:2]1[C:3]([C:8]([N:10]([O:12][CH3:13])C)=[O:9])=[N:4][CH:5]=[CH:6][CH:7]=1.[H-].C([Al+]CC(C)C)C(C)C>C1COCC1>[Br:1][C:2]1[C:3]([CH:8]=[O:9])=[N:4][CH:5]=[CH:6][CH:7]=1.[CH3:8][NH:10][O:12][CH3:13] | 1 |
COCC(COC)O.Br.ClC=1C=C(C=2N(N1)C(=NN2)N)C>N(C)(C)C=O.[H-].[Na+]>COCC(OC=1C=C(C=2N(N1)C(=NN2)N)C)COC | 3 |
C(C1=CC=CC=C1)N1CC(C(CC1)(F)F)C1=NN=C(O1)C=1C(=CC2=C(N(C([C@H](CS2)NC(OC(C)(C)C)=O)=O)CC2=CC=C(C=C2)Cl)C1)F>CO[H].[HH].[Pd].C=O>ClC1=CC=C(C=C1)CN1C([C@H](CSC2=C1C=C(C(=C2)F)C=2OC(=NN2)C2CN(CCC2(F)F)C)NC(OC(C)(C)C)=O)=O | 3 |
C(CC)=O.C(C(=O)O)(=O)O.CC1OC(=C(C1=O)O)C>O>OC(CC)C1(OC(=C(C1=O)O)C)C | 3 |
[K+].C(CC(=O)[O-])(=O)OC.ClC1=CC=C(C=C1)C(C(=O)O)(C)C>C1CCCO1.[Mg+2].[Cl-].[Cl-].C(=O)(C=1NC=CN1)C=1NC=CN1>ClC1=CC=C(C=C1)C(C(CC(=O)OC)=O)(C)C | 3 |
COC=1C=C(C=C(C1OC)OC)C=CC1=CC=C(C=C1)OC>ClCCl.B(Br)(Br)Br>OC=1C=C(C=C(C1O)O)C=CC1=CC=C(C=C1)O | 3 |
[C:1]([O:5][C@@H:6]([C:12]1[C:13]([C:32]2[CH:37]=[CH:36][C:35]([Cl:38])=[CH:34][CH:33]=2)=[C:14]2[C:19](=[CH:20][C:21]=1[CH3:22])[N:18]=[C:17]([CH2:23][N:24]([CH3:31])[C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1)[CH:16]=[CH:15]2)[C:7](OCC)=[O:8])([CH3:4])([CH3:3])[CH3:2].C(O[C@@H](C1C(C2C=CC(Cl)=CC=2)=C2C(=CC=1C)[N+]([O-])=C(C)C=C2)C[O:46][C:47](=O)[C:48]([CH3:51])([CH3:50])[CH3:49])(C)(C)C>>[C:47]([O:8][CH2:7][C@@H:6]([O:5][C:1]([CH3:4])([CH3:2])[CH3:3])[C:12]1[C:13]([C:32]2[CH:37]=[CH:36][C:35]([Cl:38])=[CH:34][CH:33]=2)=[C:14]2[C:19](=[CH:20][C:21]=1[CH3:22])[N:18]=[C:17]([CH2:23][N:24]([CH3:31])[C:25]1[CH:26]=[CH:27][CH:28]=[CH:29][CH:30]=1)[CH:16]=[CH:15]2)(=[O:46])[C:48]([CH3:51])([CH3:50])[CH3:49] | 1 |
C1(CCCCC1)N1C(=NC2=C1C=CC(=C2)C(=O)OCC)C=2C=C1C=CC(=NC1=CC2)C(=O)O.N[C@@H](C)C(=O)N>C1(=CC=NC=C1)N(C)C.ClCCl.C(C)(C)N(C(C)C)CC.C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)Br.F[P-](F)(F)(F)(F)F.C12(C(=O)CC(CC1)C2(C)C)CS(=O)(=O)O>C(C)OC(=O)C1=CC2=C(N(C(=N2)C=2C=C3C=CC(=NC3=CC2)C(NC(C)C(N)=O)=O)C2CCCCC2)C=C1 | 3 |
C1(=CC=CC=C1)N=C=O.C(C)(C)(C)OC(=O)N1[C@@H](CC[C@H](C1)N(C(C1=CC(=C(C=C1)OC)OCCCOC)=O)C(C)C)CCNC1CC1>>N(C1=CC=CC=C1)C(=O)N(CC[C@@H]1N(C[C@@H](CC1)N(C(C1=CC(=C(C=C1)OC)OCCCOC)=O)C(C)C)C(=O)OC(C)(C)C)C1CC1 | 5 |
NC=1C2=C(N=C(N1)C1=NN(C3=CC(=CC=C13)Cl)CCC(C(F)(F)F)(F)F)NC(C2(C(=O)NN)C)=O>C1CCCO1.C(=O)(C(F)(F)F)O.N(=O)OC(C)(C)C>NC=1C2=C(N=C(N1)C1=NN(C3=CC(=CC=C13)Cl)CCC(C(F)(F)F)(F)F)NC(C2(C(=O)N=[N+]=[N-])C)=O | 3 |
[S:1](=[O:5])(=[O:4])([OH:3])[OH:2].[OH-:6].[Na+:7]>>[S:1](=[O:3])(=[O:2])([OH:5])[OH:4].[OH:6][OH:2].[OH-:2].[Na+:7] | 2 |
CC=1N=CC(=NC1)N.[Si](C)(C)(C(C)(C)C)O[C@H](C(=O)OC)COCC>C1(=CC=CC=C1)C.C[Al](C)C>[Si](C)(C)(C(C)(C)C)O[C@H](C(=O)NC1=NC=C(N=C1)C)COCC | 3 |
FC1=C(C=CC(=C1)F)[N+](=O)[O-].CN1C=NC2=C1C=CC(=C2)O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>FC=1C=C(OC2=CC3=C(N(C=N3)C)C=C2)C=CC1[N+](=O)[O-] | 3 |
N(CCO)(CCO)CCO.C1=2C(=O)OC(NC1=CC=CC2)=O>>C(C=1C(N)=CC=CC1)(=O)O.C(C=1C(N)=CC=CC1)(=O)O.C(C=1C(N)=CC=CC1)(=O)O.N(CCO)(CCO)CCO | 5 |
Br[C:2]1[CH:19]=[N:18][C:5]2=[N:6][C:7]([C:10]([N:12]3[CH2:17][CH2:16][CH2:15][CH2:14][CH2:13]3)=[O:11])=[CH:8][N:9]=[C:4]2[CH:3]=1.[F:20][C:21]1[CH:22]=[C:23]([C:27]#[CH:28])[CH:24]=[CH:25][CH:26]=1>>[F:20][C:21]1[CH:22]=[C:23]([C:27]#[C:28][C:2]2[CH:19]=[N:18][C:5]3=[N:6][C:7]([C:10]([N:12]4[CH2:17][CH2:16][CH2:15][CH2:14][CH2:13]4)=[O:11])=[CH:8][N:9]=[C:4]3[CH:3]=2)[CH:24]=[CH:25][CH:26]=1 | 2 |
Cl.ClCCN(C)C.FC1=C2C(=C(N=C1)C1=NNC=C1)NC=C2C(C(=O)N2CCN(CC2)C2=NN=NN2C2=CC=CC=C2)=O>>CN(CCN1N=C(C=C1)C=1N=CC(=C2C1NC=C2C(C(=O)N2CCN(CC2)C2=NN=NN2C2=CC=CC=C2)=O)F)C | 5 |
COC=1C=C2C(=NC1)N(C=C2C(=O)O)C>CC(C)(C)[O-].[K+].ClCCl.C(C(=O)Cl)(=O)Cl.CC(C)(C)O>COC=1C=C2C(=NC1)N(C=C2C(=O)OC(C)(C)C)C | 3 |
ClC1=CC=C(C(=C1C(=O)NC=1C=C2C(=NC1)N(N=C2OC)CC2=CC=C(C=C2)OC)F)NS(=O)(=O)CCCOC2=CC=C(C=C2)OC>>ClC1=CC=C(C(=C1C(=O)NC=1C=C2C(=NC1)NN=C2OC)F)NS(=O)(=O)CCCOC2=CC=C(C=C2)OC | 5 |
C12C(C3CC(CC(C1)C3)C2)O>CC#N.[Cu]Br.[2H]C(Cl)(Cl)Cl.CC(C)(C)N1N(C1=O)C(C)(C)C>C12C(C3CC(CC(C1)C3)C2)=O | 3 |
NCCC[Si](OC)(OC)OC.C(\C=C/C(=O)OCC)(=O)OCC>>CO[Si](CCCNC(C(=O)OCC)CC(=O)OCC)(OC)OC | 3 |
C[C@]1(C(C[C@@H](CC1)C(=C)C)=O)C=C>O.ClCCCl.Cl[O-].[Ca+2].Cl[O-]>ClCC(=C)[C@@H]1CC[C@@](C(C1)=O)(C=C)C | 3 |
C(#N)C=1C=C2C(=C(C(N3C2=C(C1)SCC3C3=CC=C(C=C3)C(F)(F)F)=O)C(=O)NCC(=O)OC(C)(C)C)O>ClCCl.C(=O)(C(F)(F)F)O>C(#N)C=1C=C2C(=C(C(N3C2=C(C1)SCC3C3=CC=C(C=C3)C(F)(F)F)=O)C(=O)NCC(=O)O)O | 3 |
C(C1=CC=CC=C1)Cl.OC1=CC=C(C=O)C=C1>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C1(=CC=CC=C1)COC1=CC=C(C=O)C=C1 | 3 |
CN1C=2N(C=3C(C1=O)=C(NN3)NC3=CC=CC=C3)[C@@H]3[C@H](N2)CCC3.BrC(C1=CC=C(C=C1)C1=NC=C(C=C1)F)Br>>CN1C=2N(C=3C(C1=O)=C(N(N3)C(C3=CC=C(C=C3)C3=NC=C(C=C3)F)Br)NC3=CC=CC=C3)[C@@H]3[C@H](N2)CCC3 | 5 |
[C:1]1([C@H:11]([NH2:13])[CH3:12])[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3][CH:2]=1.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].[C:28]1([C@H:34]2[CH2:39][CH2:38][N:37]([C:40](=[O:45])[C:41]([F:44])([F:43])[F:42])[CH2:36][C@@H:35]2[CH:46]=O)[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1.C(=O)([O-])O.[Na+]>ClCCCl.C(O)(=O)C>[C:1]1([C@H:11]([NH:13][CH2:46][CH:35]2[CH:34]([C:28]3[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=3)[CH2:39][CH2:38][N:37]([C:40](=[O:45])[C:41]([F:44])([F:42])[F:43])[CH2:36]2)[CH3:12])[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3][CH:2]=1 | 1 |
C(C)OC(=O)C=1C(C2=CC(=CC=C2C1C1=CC=CC=C1)OC)(O)C1CCCCC1>C1CCCO1.CCO[H].[OH-].[Na+]>C1(CCCCC1)C1(C(=C(C2=CC=C(C=C12)OC)C1=CC=CC=C1)C(=O)O)O | 3 |
N1=C(C=CC=C1)C(=O)Cl.COC1=C(C=C(C=C1)CCC)C=1N=C(SC1)NC(=O)[C@@H]1CNCCC1>>Cl.COC1=C(C=C(C=C1)CCC)C=1N=C(SC1)NC(=O)[C@@H]1CN(CCC1)C(=O)C1=NC=CC=C1 | 5 |
FC1=C(C=C(C=C1)OC)C1=C(C=C(C=C1)C(=O)OC)C1C(C(CC1)I)(C)C>>CC1(C(OCC1)C1=C(C=CC(=C1)C(=O)OC)C1=C(C=CC(=C1)OC)F)C | 5 |
Cl[CH2:2][CH2:3][O:4][C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][C:6]=1[C:11]([NH:14][C:15]1[C:16](=[O:35])[N:17]([C:21]2[CH:22]=[C:23]([CH:30]=[C:31]([F:34])[C:32]=2[CH3:33])[C:24]([NH:26][CH:27]2[CH2:29][CH2:28]2)=[O:25])[CH:18]=[CH:19][N:20]=1)([CH3:13])[CH3:12].[CH3:36][NH2:37]>>[CH:27]1([NH:26][C:24](=[O:25])[C:23]2[CH:22]=[C:21]([N:17]3[CH:18]=[CH:19][N:20]=[C:15]([NH:14][C:11]([CH3:13])([C:6]4[CH:7]=[CH:8][CH:9]=[CH:10][C:5]=4[O:4][CH2:3][CH2:2][NH:37][CH3:36])[CH3:12])[C:16]3=[O:35])[C:32]([CH3:33])=[C:31]([F:34])[CH:30]=2)[CH2:29][CH2:28]1 | 1 |
C(C)OC(=O)C=1N=C2N(C(=CC=C2)C)C1Br>>Cl.BrC1=C(N=C2N1C(=CC=C2)C)C(=O)O | 5 |
CN([CH:4]=[C:5]1[C:11](=O)[C:10]2[CH:13]=[CH:14][C:15]([N:17]3[CH2:21][C@H:20]([CH2:22][NH:23][C:24](=[O:26])[CH3:25])[O:19][C:18]3=[O:27])=[CH:16][C:9]=2[CH2:8][CH2:7][S:6]1)C.Cl.[NH2:29][C:30]([NH2:32])=[NH:31].C([O-])([O-])=O.[K+].[K+].O>C(O)C>[NH2:31][C:30]1[N:32]=[CH:4][C:5]2[S:6][CH2:7][CH2:8][C:9]3[CH:16]=[C:15]([N:17]4[CH2:21][C@H:20]([CH2:22][NH:23][C:24](=[O:26])[CH3:25])[O:19][C:18]4=[O:27])[CH:14]=[CH:13][C:10]=3[C:11]=2[N:29]=1 | 2 |
FC(C1=CC=C(C=C1)[C@]12CNC[C@@H]2C1)(F)F.FC=1C=NC=CC1C=1C(NC(N(C1)CCC=O)=O)=O>>Cl.Cl.FC=1C=NC=CC1C=1C(NC(N(C1)CCCN1C[C@]2(C[C@H]2C1)C1=CC=C(C=C1)C(F)(F)F)=O)=O | 5 |
I.[Cl:2][C:3]1[N:4]=[CH:5][N:6]([C:8]2[CH:13]=[CH:12][C:11]([NH:14][C:15](SC)=[NH:16])=[CH:10][C:9]=2[O:19][CH3:20])[CH:7]=1.[Cl:21][CH2:22][CH2:23][CH2:24][CH2:25][CH:26]([C:30]1[CH:35]=[CH:34][C:33]([O:36][CH2:37][C:38]([F:41])([F:40])[F:39])=[CH:32][CH:31]=1)[C:27](O)=O.CN1CCOCC1.C(N(CC)C(C)C)(C)C.[NH2:58][NH2:59]>>[Cl:21][CH2:22][CH2:23][CH2:24][CH2:25][CH:26]([C:27]1[NH:59][N:58]=[C:15]([NH:14][C:11]2[CH:12]=[CH:13][C:8]([N:6]3[CH:7]=[C:3]([Cl:2])[N:4]=[CH:5]3)=[C:9]([O:19][CH3:20])[CH:10]=2)[N:16]=1)[C:30]1[CH:35]=[CH:34][C:33]([O:36][CH2:37][C:38]([F:41])([F:40])[F:39])=[CH:32][CH:31]=1 | 1 |
Br[CH2:2][CH2:3][C:4]([C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1)([C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1)[C:5]#[N:6].[CH3:19][C:20]1[NH:21][CH:22]=[CH:23][N:24]=1.CS(C)=O.[P:29](=[O:33])([OH:32])([OH:31])[OH:30]>C(O)C.O.C(OCC)(=O)C>[P:29]([OH:33])([OH:32])([OH:31])=[O:30].[CH3:19][C:20]1[N:21]([CH2:2][CH2:3][C:4]([C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)([C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=2)[C:5]#[N:6])[CH:22]=[CH:23][N:24]=1 | 1 |
ClCC(=O)Cl.FC(C(=O)N1CCC2=C(CC1)C=CC=C2)(F)F>[Al](Cl)(Cl)Cl.Cl.ClCCCl>ClCC(=O)C1=CC2=C(CCN(CC2)C(C(F)(F)F)=O)C=C1 | 3 |
C(C)OC(CC(C=C)(C)CC1=CC=C(C=C1)OC)=O>>C(C)OC(CC(C=C)(C)CC1=CC=C(C=C1)O)=O | 5 |
ClC1=C2CC(N(C2=CC=C1)C)=O>>BrC=1C(=C2CC(N(C2=CC1)C)=O)Cl | 5 |
[OH-].[Na+].[NH:3]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[CH:5]=[N:4]1.C(O)C.[NH2:15]OS(O)(=O)=O>O>[NH2:15][N:3]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[CH:5]=[N:4]1 | 1 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[CH2:13][CH2:12][N:11]([CH2:14][CH2:15][CH2:16][CH2:17][O:18][C:19]3[CH:28]=[C:27]4[C:22]([CH2:23][CH2:24][C:25](=[O:29])[NH:26]4)=[CH:21][CH:20]=3)[CH2:10][CH2:9]2)=[C:4]([Cl:30])[C:3]=1[Cl:31].[C:32]1(=[O:39])[O:38][C:36](=[O:37])[CH2:35][CH2:34][CH2:33]1>N1C=CC=CC=1>[Cl:31][C:3]1[C:4]([Cl:30])=[C:5]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][CH2:16][CH2:17][O:18][C:19]3[CH:28]=[C:27]4[C:22]([CH2:23][CH2:24][C:25](=[O:29])[NH:26]4)=[CH:21][CH:20]=3)[CH2:12][CH2:13]2)[CH:6]=[CH:7][C:2]=1[NH:1][C:32](=[O:39])[CH2:33][CH2:34][CH2:35][C:36]([OH:38])=[O:37] | 2 |
Br[C:2]1[C:3]([C:22]2[CH2:23][CH2:24][O:25][CH2:26][CH:27]=2)=[N:4][CH:5]=[C:6]([CH:21]=1)[C:7]([NH:9][C:10]1[CH:15]=[CH:14][C:13]([O:16][C:17]([F:20])([F:19])[F:18])=[CH:12][CH:11]=1)=[O:8].[N:28]1[CH:33]=[C:32](B(O)O)[CH:31]=[N:30][CH:29]=1.C([O-])(O)=O.[Na+]>Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.COCCOC>[O:25]1[CH2:26][CH:27]=[C:22]([C:3]2[C:2]([C:32]3[CH:33]=[N:28][CH:29]=[N:30][CH:31]=3)=[CH:21][C:6]([C:7]([NH:9][C:10]3[CH:15]=[CH:14][C:13]([O:16][C:17]([F:20])([F:19])[F:18])=[CH:12][CH:11]=3)=[O:8])=[CH:5][N:4]=2)[CH2:23][CH2:24]1 | 1 |
IC1=CC(=CC=C1)[N+](=O)[O-].BrC(C(=O)OCC)(F)F>>FC(C(=O)OCC)(C1=CC(=CC=C1)[N+](=O)[O-])F | 5 |
CN(C=O)C.[H-].[Na+].[C:8]12([O:18][CH2:19][CH2:20][O:21][CH2:22][CH2:23][O:24][CH2:25][CH2:26][O:27][CH2:28][CH2:29][OH:30])[CH2:17][CH:12]3[CH2:13][CH:14]([CH2:16][CH:10]([CH2:11]3)[CH2:9]1)[CH2:15]2.CS(O[CH2:36][CH2:37][CH2:38][CH2:39][N:40]=[N+:41]=[N-:42])(=O)=O>C1COCC1>[C:8]12([O:18][CH2:19][CH2:20][O:21][CH2:22][CH2:23][O:24][CH2:25][CH2:26][O:27][CH2:28][CH2:29][O:30][CH2:36][CH2:37][CH2:38][CH2:39][N:40]=[N+:41]=[N-:42])[CH2:15][CH:14]3[CH2:16][CH:10]([CH2:11][CH:12]([CH2:13]3)[CH2:17]1)[CH2:9]2 | 2 |
[CH3:1][O:2][CH2:3][O:4][C:5]1[CH:13]=[CH:12][C:8]([CH2:9][CH2:10][NH2:11])=[CH:7][CH:6]=1.[C:14]([CH2:16][C:17](O)=[O:18])#[N:15].P(C#N)(=O)(OCC)OCC.C(N(CC)CC)C.C(=O)(O)[O-].[Na+]>CN(C)C=O>[C:14]([CH2:16][C:17]([NH:11][CH2:10][CH2:9][C:8]1[CH:12]=[CH:13][C:5]([O:4][CH2:3][O:2][CH3:1])=[CH:6][CH:7]=1)=[O:18])#[N:15] | 2 |
Br[C:2]1[CH:18]=[CH:17][C:5]([O:6][CH:7]([CH3:16])[CH2:8][NH:9][S:10]([CH:13]([CH3:15])[CH3:14])(=[O:12])=[O:11])=[CH:4][CH:3]=1.[S:19]1[CH:23]=[CH:22][CH:21]=[C:20]1B(O)O.C(=O)([O-])[O-].[Na+].[Na+]>Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.COCCOC>[CH3:14][CH:13]([S:10]([NH:9][CH2:8][CH:7]([O:6][C:5]1[CH:17]=[CH:18][C:2]([C:2]2[CH:18]=[CH:17][C:5]([C:20]3[S:19][CH:23]=[CH:22][CH:21]=3)=[CH:4][CH:3]=2)=[CH:3][CH:4]=1)[CH3:16])(=[O:12])=[O:11])[CH3:15] | 1 |
CN1CCOCC1.ClC(OCC(C)C)=O.[CH2:16]([O:23][C:24]1[CH:41]=[CH:40][C:39]2[C@@H:38]3[C@H:29]([C@H:30]4[C@@:34]([CH2:36][CH2:37]3)([CH3:35])[C@@H:33]([OH:42])[CH2:32][CH2:31]4)[C@H:28]([CH:43]=[CH:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][C:53](O)=[O:54])[CH2:27][C:26]=2[CH:25]=1)[C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1.[CH3:56][NH:57][CH2:58][CH:59]([CH3:61])[CH3:60].C(=O)(O)[O-].[Na+]>O1CCCC1>[CH2:58]([N:57]([CH3:56])[C:53](=[O:54])[CH2:52][CH2:51][CH2:50][CH2:49][CH2:48][CH2:47][CH2:46][CH2:45][CH:44]=[CH:43][C@@H:28]1[CH2:27][C:26]2[CH:25]=[C:24]([O:23][CH2:16][C:17]3[CH:18]=[CH:19][CH:20]=[CH:21][CH:22]=3)[CH:41]=[CH:40][C:39]=2[C@@H:38]2[C@@H:29]1[C@H:30]1[C@@:34]([CH2:36][CH2:37]2)([CH3:35])[C@@H:33]([OH:42])[CH2:32][CH2:31]1)[CH:59]([CH3:61])[CH3:60] | 1 |
C(=O)(OC(C)(C)C)N1[C@H](C(=O)O)CCC1.NC[C@@H]1CC(=NO1)C1=CC=C(C=N1)C1=C(C=C(C=C1)N1C(O[C@H](C1)CN1N=NC=C1)=O)F>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>FC1=C(C=CC(=C1)N1C(O[C@H](C1)CN1N=NC=C1)=O)C=1C=CC(=NC1)C1=NO[C@@H](C1)CNC(=O)[C@H]1N(CCC1)C(=O)OC(C)(C)C | 3 |
C[O:2][C:3]([C:5]1[S:9][C:8]2[CH:10]=[CH:11][CH:12]=[CH:13][C:7]=2[C:6]=1[CH2:14][N:15]([CH2:22][C:23]1[CH:28]=[CH:27][C:26]([O:29][CH3:30])=[CH:25][C:24]=1[O:31][CH3:32])[CH2:16][C:17]([O:19][CH2:20][CH3:21])=[O:18])=O.Cl>C1COCC1>[CH2:20]([O:19][C:17]([CH:16]1[N:15]([CH2:22][C:23]2[CH:28]=[CH:27][C:26]([O:29][CH3:30])=[CH:25][C:24]=2[O:31][CH3:32])[CH2:14][CH:6]2[C:7]3[CH:13]=[CH:12][CH:11]=[CH:10][C:8]=3[S:9][CH:5]2[C:3]1=[O:2])=[O:18])[CH3:21] | 2 |
[Cl:1][C:2]1[CH:7]=[C:6]([Cl:8])[CH:5]=[CH:4][C:3]=1[CH2:9][N:10]1[C:14]2[CH:15]([CH2:19][C:20]([O:22]CC)=[O:21])[CH2:16][CH2:17][CH2:18][C:13]=2[N:12]=[C:11]1[CH:25]([CH3:27])[CH3:26].CO.[OH-].[Na+]>CC1OCCC1>[NH3:10].[Cl:1][C:2]1[CH:7]=[C:6]([Cl:8])[CH:5]=[CH:4][C:3]=1[CH2:9][N:10]1[C:14]2[CH:15]([CH2:19][C:20]([OH:22])=[O:21])[CH2:16][CH2:17][CH2:18][C:13]=2[N:12]=[C:11]1[CH:25]([CH3:26])[CH3:27] | 1 |
C([O:3][C:4]([C:6]1([CH2:37][CH3:38])[CH2:11][CH2:10][N:9]([C:12]2[N:17]=[CH:16][C:15]([C:18]3[CH:19]=[C:20](/[CH:33]=[N:34]/OC)[C:21]4[S:25][C:24]([NH:26][C:27](=[O:31])[NH:28][CH2:29][CH3:30])=[N:23][C:22]=4[CH:32]=3)=[CH:14][N:13]=2)[CH2:8][CH2:7]1)=[O:5])C.[OH2:39].CC#N>CO.[OH-].[Na+].O>[C:33]([C:20]1[C:21]2[S:25][C:24]([NH:26][C:27](=[O:31])[NH:28][CH2:29][CH3:30])=[N:23][C:22]=2[CH:32]=[C:18]([C:15]2[CH:14]=[N:13][C:12]([N:9]3[CH2:8][CH2:7][C:6]([CH2:37][CH3:38])([C:4]([OH:3])=[O:5])[CH2:11][CH2:10]3)=[N:17][CH:16]=2)[CH:19]=1)(=[O:39])[NH2:34] | 1 |
[Si](C)(C)(C(C)(C)C)OCC1=CC2=C(C=N1)N=CN2C2=CC(=C(S2)C(=O)N)O[C@H](C)C2=C(C=CC=C2)F>>FC1=C(C=CC=C1)[C@@H](C)OC1=C(SC(=C1)N1C=NC=2C=NC(=CC21)CO)C(=O)N | 5 |
[CH2:1]([N:4]([CH2:31][CH2:32][CH3:33])[CH2:5][CH2:6][CH2:7][CH2:8][C:9]1[N:10]([CH3:30])[C:11]2[CH:17]=[C:16]([CH2:18][N:19]3C(=O)C4C(=CC=CC=4)C3=O)[CH:15]=[CH:14][C:12]=2[N:13]=1)[CH2:2][CH3:3]>CN.CO>[NH2:19][CH2:18][C:16]1[CH:15]=[CH:14][C:12]2[N:13]=[C:9]([CH2:8][CH2:7][CH2:6][CH2:5][N:4]([CH2:1][CH2:2][CH3:3])[CH2:31][CH2:32][CH3:33])[N:10]([CH3:30])[C:11]=2[CH:17]=1 | 1 |
Cl.C([N:9]1[C:13]([CH2:14][CH2:15][CH:16]=[C:17]([C:26]2[CH:31]=[CH:30][C:29]([C:32]#[N:33])=[CH:28][CH:27]=2)[C:18]2[CH:23]=[CH:22][C:21]([C:24]#[N:25])=[CH:20][CH:19]=2)=[CH:12][N:11]=[CH:10]1)C1C=CC=CC=1>C(O)C>[C:24]([C:21]1[CH:20]=[CH:19][C:18]([CH:17]([C:26]2[CH:27]=[CH:28][C:29]([C:32]#[N:33])=[CH:30][CH:31]=2)[CH2:16][CH2:15][CH2:14][C:13]2[N:9]=[CH:10][NH:11][CH:12]=2)=[CH:23][CH:22]=1)#[N:25] | 1 |
[Si]([O:18][C@@H:19]1[CH2:24][CH2:23][CH2:22][C@H:21]([CH2:25][CH2:26][C:27]([CH3:36])([CH3:35])[C:28]([O:30][C:31]([CH3:34])([CH3:33])[CH3:32])=[O:29])[CH2:20]1)(C(C)(C)C)(C1C=CC=CC=1)C1C=CC=CC=1.[F-].C([N+](CCCC)(CCCC)CCCC)CCC>O1CCCC1>[OH:18][C@@H:19]1[CH2:24][CH2:23][CH2:22][C@H:21]([CH2:25][CH2:26][C:27]([CH3:36])([CH3:35])[C:28]([O:30][C:31]([CH3:34])([CH3:33])[CH3:32])=[O:29])[CH2:20]1 | 1 |
[C:1]1([SH:7])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.Br[CH2:9][C:10]([C:12]1[CH:17]=[CH:16][C:15]([S:18]([CH3:21])(=[O:20])=[O:19])=[CH:14][CH:13]=1)=[O:11].C([O-])([O-])=O.[K+].[K+].O>CC(C)=O>[C:1]1([S:7][CH2:9][C:10]([C:12]2[CH:13]=[CH:14][C:15]([S:18]([CH3:21])(=[O:20])=[O:19])=[CH:16][CH:17]=2)=[O:11])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1 | 1 |
C([Si](C)(C)[O:6][CH2:7][C:8]([C:11]1[N:12](S(C)(=O)=O)[C:13]2[C:18]([CH:19]=1)=[CH:17][C:16]([C:20]#[N:21])=[C:15]([C:22]([F:25])([F:24])[F:23])[CH:14]=2)([OH:10])[CH3:9])(C)(C)C.[OH-].[Na+].Cl>CO.O>[OH:10][C:8]([C:11]1[NH:12][C:13]2[C:18]([CH:19]=1)=[CH:17][C:16]([C:20]#[N:21])=[C:15]([C:22]([F:25])([F:23])[F:24])[CH:14]=2)([CH3:9])[CH2:7][OH:6] | 1 |
C[O:2][C:3]1[CH:4]=[C:5]([NH:9][C:10]([C:12]2[C:13]([NH:18][C@H:19]([C:21]3[N:26]([C:27]4[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=4)[C:25](=[O:33])[C:24]4=[C:34]([CH3:37])[CH:35]=[CH:36][N:23]4[N:22]=3)[CH3:20])=[N:14][CH:15]=[N:16][CH:17]=2)=[O:11])[CH:6]=[CH:7][CH:8]=1.B(Br)(Br)Br>ClCCl>[OH:2][C:3]1[CH:4]=[C:5]([NH:9][C:10]([C:12]2[C:13]([NH:18][C@H:19]([C:21]3[N:26]([C:27]4[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=4)[C:25](=[O:33])[C:24]4=[C:34]([CH3:37])[CH:35]=[CH:36][N:23]4[N:22]=3)[CH3:20])=[N:14][CH:15]=[N:16][CH:17]=2)=[O:11])[CH:6]=[CH:7][CH:8]=1 | 1 |
[CH3:1][S:2]([N:5]1[C:13]2[C:8](=[CH:9][CH:10]=[C:11]([NH2:14])[CH:12]=2)[C:7]([CH3:15])=[CH:6]1)(=[O:4])=[O:3].[ClH:16].CS(N1C2C(=CC=C(N=[C:31]3[NH:35][CH2:34][CH2:33][NH:32]3)C=2)C=C1)(=O)=O>>[ClH:16].[NH:32]1[CH2:33][CH2:34][NH:35][C:31]1=[N:14][C:11]1[CH:12]=[C:13]2[C:8]([C:7]([CH3:15])=[CH:6][N:5]2[S:2]([CH3:1])(=[O:4])=[O:3])=[CH:9][CH:10]=1 | 1 |
N1=CNC2=C1C=CC(=C2)C(=O)O.Cl.NCC(CCC1=C(C(=CC=C1)OC)OC)=O>>N1C=NC2=C1C=CC(=C2)C=2SC(=CN2)CCC2=C(C(=CC=C2)OC)OC | 5 |
O=C1CCC(=O)N1O[C:9](=[O:35])[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][C:28]([O:30][C:31]([CH3:34])([CH3:33])[CH3:32])=[O:29].[NH2:36][C@H:37]([C:43]([O:45][C:46]([CH3:49])([CH3:48])[CH3:47])=[O:44])[CH2:38][CH2:39][C:40](=[O:42])[OH:41]>C1COCC1.CN(C=O)C.O>[C:46]([O:45][C:43](=[O:44])[C@@H:37]([NH:36][C:9](=[O:35])[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][C:28]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:29])[CH2:38][CH2:39][C:40]([OH:42])=[O:41])([CH3:49])([CH3:47])[CH3:48] | 1 |
Cl.Cl.[NH2:3][C:4]1[C:19]([Cl:20])=[CH:18][C:7]([C:8]([NH:10][CH2:11][CH:12]2[CH2:17][CH2:16][NH:15][CH2:14][CH2:13]2)=[O:9])=[C:6]([O:21][CH3:22])[CH:5]=1.[O:23]1[C:28]2[CH:29]=[CH:30][C:31]([CH2:33][O:34][CH2:35][CH2:36][CH2:37][CH2:38]Br)=[CH:32][C:27]=2[O:26][CH2:25][CH2:24]1>>[NH2:3][C:4]1[C:19]([Cl:20])=[CH:18][C:7]([C:8]([NH:10][CH2:11][CH:12]2[CH2:13][CH2:14][N:15]([CH2:38][CH2:37][CH2:36][CH2:35][O:34][CH2:33][C:31]3[CH:30]=[CH:29][C:28]4[O:23][CH2:24][CH2:25][O:26][C:27]=4[CH:32]=3)[CH2:16][CH2:17]2)=[O:9])=[C:6]([O:21][CH3:22])[CH:5]=1 | 1 |
[Br:1][C:2]1[CH:3]=[C:4]([NH2:19])[CH:5]=[C:6]([Br:18])[C:7]=1[O:8][C:9]1[CH:14]=[CH:13][C:12]([N+:15]([O-])=O)=[CH:11][CH:10]=1.N1C=CC=CC=1.Cl[C:27](=[O:33])[CH2:28][C:29]([O:31][CH3:32])=[O:30]>ClCCl>[CH3:32][O:31][C:29](=[O:30])[CH2:28][C:27]([NH:19][C:4]1[CH:3]=[C:2]([Br:1])[C:7]([O:8][C:9]2[CH:14]=[CH:13][C:12]([NH2:15])=[CH:11][CH:10]=2)=[C:6]([Br:18])[CH:5]=1)=[O:33] | 2 |
ClC(C(O)O)(Cl)Cl.CC1=C(N)C=C(C=C1)C>Cl.Cl.NO>CC1=C(C=C(C=C1)C)NC(C=NO)=O | 3 |
[O:1]1[C:6]2[CH:7]=[CH:8][CH:9]=[CH:10][C:5]=2[NH:4][CH2:3][CH2:2]1.C(N(CC)CC)C.[Cl:18][C:19]1[CH:20]=[C:21]([CH:25]=[CH:26][C:27]=1[O:28][CH3:29])[C:22](Cl)=[O:23]>C(Cl)(Cl)Cl>[Cl:18][C:19]1[CH:20]=[C:21]([C:22]([N:4]2[C:5]3[CH:10]=[CH:9][CH:8]=[CH:7][C:6]=3[O:1][CH2:2][CH2:3]2)=[O:23])[CH:25]=[CH:26][C:27]=1[O:28][CH3:29] | 2 |
C(C)(=O)NCCCN1C=NC2=C1C(=CC(=C2)C2=C(C=C(C=C2)C)Cl)C(=O)OC>O.C1CCCO1.O[Li].O>C(C)(=O)NCCCN1C=NC2=C1C(=CC(=C2)C2=C(C=C(C=C2)C)Cl)C(=O)O | 3 |
FC1=C(C2=C(CCO2)C=C1NC1=NC(=CC(=N1)C)NC)C=1CC(CN(CC1)C(=O)OC(C)(C)C)O>[Br-].[Zn+2].[Br-].ClCCl>FC1=C(C2=C(CCO2)C=C1NC1=NC(=CC(=N1)C)NC)C=1CC(CNCC1)O | 3 |
C(C1=CC=CC=C1)OC(=O)N1[C@@H](CC[C@H]([C@@H](C1)O)NC(=O)OC(C)(C)C)C>>C(C)(C)(C)OC(N[C@H]1[C@@H](CN[C@@H](CC1)C)O)=O | 5 |
[OH:1][C:2]1[CH:3]=[C:4]([CH2:8][C:9]([NH:11][NH:12][C:13](=[O:25])[C:14]2[C:19]([O:20]C)=[CH:18][C:17]([O:22]C)=[CH:16][C:15]=2[Cl:24])=[O:10])[CH:5]=[CH:6][CH:7]=1.B(Br)(Br)Br>ClCCl>[OH:1][C:2]1[CH:3]=[C:4]([CH2:8][C:9]([NH:11][NH:12][C:13](=[O:25])[C:14]2[C:19]([OH:20])=[CH:18][C:17]([OH:22])=[CH:16][C:15]=2[Cl:24])=[O:10])[CH:5]=[CH:6][CH:7]=1 | 1 |
C(OC)(OC)OC.NC1=C(C(=O)O)C=CC=C1>C(C)(=O)O.[N-]=[N+]=[N-].[Na+]>N1(N=NN=C1)C1=C(C(=O)O)C=CC=C1 | 3 |
N1CC(C1)OC=1C=C(C=CC1OC)NC(CN1N=CC(=C1)OC1=NC=NC2=CC(=C(C=C12)OC)OC)=O>CO[H].ClCCl.C=O.C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>COC1=C(C=C(C=C1)NC(CN1N=CC(=C1)OC1=NC=NC2=CC(=C(C=C12)OC)OC)=O)OC1CN(C1)C | 3 |
C(C)I.ClC=1C=C(C=NC1)C1=NC(=CC2=C1N(C(=N2)C(O)C2CCCC2)C[C@@H]2CC[C@H](CC2)C)C#N>>ClC=1C=C(C=NC1)C1=NC(=CC2=C1N(C(=N2)C(OCC)C2CCCC2)C[C@@H]2CC[C@H](CC2)C)C#N | 5 |
C1C(COC(O1)C2=CC=CC=C2)O.ClC1=NC(=NC(=C1)Cl)SCC1=C(C(=CC=C1)F)F>C1CCCO1.[H-].[Na+]>ClC1=NC(=NC(=C1)OC1COC(OC1)C1=CC=CC=C1)SCC1=C(C(=CC=C1)F)F | 3 |
ClC1=CC=CC(=N1)C1(COCC1)C=O>[Na+].[BH4-].CCO[H].C(C)(=O)OCC>ClC1=CC=CC(=N1)C1(COCC1)CO | 3 |
[C:1]([C:3](=[C:7](SC)[C:8]1[CH:13]=[CH:12][C:11]([CH3:14])=[CH:10][CH:9]=1)[C:4]([NH2:6])=[O:5])#[N:2].[C:17]([C:20]1[CH:21]=[C:22]([NH:26][NH2:27])[CH:23]=[CH:24][CH:25]=1)([OH:19])=[O:18].C(N(CC)CC)C.C(O)(=O)C>C(Cl)Cl.CO>[NH2:2][C:1]1[N:26]([C:22]2[CH:23]=[CH:24][CH:25]=[C:20]([C:17]([OH:19])=[O:18])[CH:21]=2)[N:27]=[C:7]([C:8]2[CH:13]=[CH:12][C:11]([CH3:14])=[CH:10][CH:9]=2)[C:3]=1[C:4]([NH2:6])=[O:5] | 1 |
BrCCCO[Si](C)(C)C(C)(C)C.ClC1=NC=2N(C(NC(C2N1CC1=CC=C(C=C1)Cl)=O)=O)COCC[Si](C)(C)C>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(C1=CC=CC=C1)N1C(=NC=2N(C(N(C(C12)=O)CCCO[Si](C)(C)C(C)(C)C)=O)COCC[Si](C)(C)C)Cl | 3 |
[BH4-].[Na+].[F:3][C:4]1[CH:5]=[C:6]([C:22](=[O:38])[CH:23]([N:25]2[CH2:30][CH2:29][C:28]([OH:37])([C:31]3[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=3)[CH2:27][CH2:26]2)[CH3:24])[CH:7]=[C:8]([F:21])[C:9]=1[O:10][Si:11]([CH:18]([CH3:20])[CH3:19])([CH:15]([CH3:17])[CH3:16])[CH:12]([CH3:14])[CH3:13]>C(O)C>[F:3][C:4]1[CH:5]=[C:6]([CH:22]([OH:38])[CH:23]([N:25]2[CH2:26][CH2:27][C:28]([OH:37])([C:31]3[CH:32]=[CH:33][CH:34]=[CH:35][CH:36]=3)[CH2:29][CH2:30]2)[CH3:24])[CH:7]=[C:8]([F:21])[C:9]=1[O:10][Si:11]([CH:12]([CH3:13])[CH3:14])([CH:15]([CH3:17])[CH3:16])[CH:18]([CH3:20])[CH3:19] | 1 |
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