smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
Cl.[CH3:2][N:3]([CH3:31])[CH2:4][CH2:5][N:6]1[C:13](=[O:14])[C@H:12]([OH:15])[C@H:11]([C:16]2[CH:21]=[CH:20][C:19]([O:22][CH3:23])=[CH:18][CH:17]=2)[S:10][C:9]2=[CH:24][CH:25]=[CH:26][C:27]3=[CH:28][CH:29]=[CH:30][C:7]1=[C:8]23.[C:32](OC(=O)C)(=[O:34])[CH3:33]>>[C:32]([O:15][C@@H:12]1[C@H:11]([C:16]2[CH:17]=[CH:18][C:19]([O:22][CH3:23])=[CH:20][CH:21]=2)[S:10][C:9]2=[CH:24][CH:25]=[CH:26][C:27]3=[CH:28][CH:29]=[CH:30][C:7](=[C:8]23)[N:6]([CH2:5][CH2:4][N:3]([CH3:2])[CH3:31])[C:13]1=[O:14])(=[O:34])[CH3:33] | 1 |
Br[C:2]1[CH:15]=[CH:14][C:5]2[N:6]=[C:7]([C@@H:9]3[CH2:12][C@H:11]([OH:13])[CH2:10]3)[S:8][C:4]=2[CH:3]=1.[N:16]1[CH:21]=[C:20](B(O)O)[CH:19]=[N:18][CH:17]=1.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.C1(P(C2CCCCC2)C2C=CC=CC=2C2C=CC=CC=2)CCCCC1.C(O)C.O1CCOCC1>[N:16]1[CH:21]=[C:20]([C:2]2[CH:15]=[CH:14][C:5]3[N:6]=[C:7]([C@@H:9]4[CH2:12][C@H:11]([OH:13])[CH2:10]4)[S:8][C:4]=3[CH:3]=2)[CH:19]=[N:18][CH:17]=1 | 1 |
[CH2:1]([C:3]1[NH:8][CH:7]=[C:6]([CH:9]([N:14]2[CH2:19][CH2:18][N:17](C(OCC3C=CC=CC=3)=O)[CH2:16][CH2:15]2)[C:10]([F:13])([F:12])[F:11])[C:5](=[O:30])[C:4]=1[OH:31])[CH3:2]>CO.[Pd]>[CH2:1]([C:3]1[NH:8][CH:7]=[C:6]([CH:9]([N:14]2[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]2)[C:10]([F:13])([F:12])[F:11])[C:5](=[O:30])[C:4]=1[OH:31])[CH3:2] | 2 |
[F:1][C:2]([F:40])([F:39])[C:3]1[CH:4]=[C:5]([CH:32]=[C:33]([C:35]([F:38])([F:37])[F:36])[CH:34]=1)[CH2:6][N:7]([CH2:15][C:16]1[CH:21]=[C:20]([C:22]([F:25])([F:24])[F:23])[CH:19]=[CH:18][C:17]=1[NH:26][C:27](=[O:31])[O:28][CH2:29][CH3:30])[C:8]1[N:13]=[CH:12][C:11](Br)=[CH:10][N:9]=1.[C:41](P(C(C)(C)C)C1C=CC=CC=1C1C=CC=CC=1)(C)(C)[CH3:42].[CH3:62][C:63](C)([O-])C.[Na+].[NH:68]1[CH2:73][CH2:72][CH:71](C(OCC)=O)[CH2:70][CH2:69]1.[C:79](=[O:82])([OH:81])[O-].[Na+]>C1(C)C=CC=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.[Pd].[Pd].C(OCC)(=O)C>[NH:68]1[CH2:69][CH2:70][CH:71]([C:79]([O:81][CH:41]([C:11]2[CH:10]=[N:9][C:8]([N:7]([CH2:6][C:5]3[CH:4]=[C:3]([C:2]([F:39])([F:1])[F:40])[CH:34]=[C:33]([C:35]([F:36])([F:38])[F:37])[CH:32]=3)[CH2:15][C:16]3[CH:21]=[C:20]([C:22]([F:25])([F:24])[F:23])[CH:19]=[CH:18][C:17]=3[N:26]([C:27]([O:28][CH2:29][CH3:30])=[O:31])[CH2:62][CH3:63])=[N:13][CH:12]=2)[CH3:42])=[O:82])[CH2:72][CH2:73]1 | 1 |
[CH3:1][O:2][CH2:3][CH2:4][N:5]1[CH2:11][CH2:10][C:9]2[CH:12]=[C:13]([NH2:16])[CH:14]=[CH:15][C:8]=2[CH2:7][CH2:6]1.Cl[C:18]1[N:23]=[C:22]([NH:24][C@@H:25]2[CH2:30][CH2:29][CH2:28][CH2:27][C@H:26]2[OH:31])[C:21]([Cl:32])=[CH:20][N:19]=1.Cl.O1CCOCC1>CC(O)C>[Cl:32][C:21]1[C:22]([NH:24][C@@H:25]2[CH2:30][CH2:29][CH2:28][CH2:27][C@H:26]2[OH:31])=[N:23][C:18]([NH:16][C:13]2[CH:14]=[CH:15][C:8]3[CH2:7][CH2:6][N:5]([CH2:4][CH2:3][O:2][CH3:1])[CH2:11][CH2:10][C:9]=3[CH:12]=2)=[N:19][CH:20]=1 | 1 |
NC=1C(=NC(=CN1)Br)C#N>>NC=1C(=NC(=CN1)Br)C(N)=NO | 5 |
[NH2:1][C:2]1[C:6]([C:7]([C:9]2[S:10][CH:11]=[CH:12][CH:13]=2)=[O:8])=[CH:5][NH:4][N:3]=1.CN(C)[CH:16]=[CH:17][C:18]([C:20]1[CH:24]=[C:23]([N+:25]([O-:27])=[O:26])[S:22][CH:21]=1)=O.C(C1SC=C([N+]([O-])=O)C=1)(=O)C.COC(OC)N(C)C>>[N+:25]([C:23]1[S:22][CH:21]=[C:20]([C:18]2[N:3]3[N:4]=[CH:5][C:6]([C:7]([C:9]4[S:10][CH:11]=[CH:12][CH:13]=4)=[O:8])=[C:2]3[N:1]=[CH:16][CH:17]=2)[CH:24]=1)([O-:27])=[O:26] | 2 |
C1(=CC=C(C=C1)C=NO)C1=CC=CC=C1>CO[H].[Na+].[BH4-].O.O.O.O.O.O.[Ni](Cl)Cl>C1(=CC=CC=C1)C1=CC=C(CN)C=C1 | 3 |
C([N:3](CC)CC)C.[NH2:8][CH2:9][CH2:10][C:11]1[CH:42]=[CH:41][C:14]([O:15][CH2:16][CH2:17][C:18]2[CH:23]=[CH:22][C:21]([OH:24])=[C:20]([C@@H:25]([C:35]3[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=3)[CH2:26][CH2:27][N:28]([CH:32]([CH3:34])[CH3:33])[CH:29]([CH3:31])[CH3:30])[CH:19]=2)=[CH:13][CH:12]=1.O.[Cl:44][C:45]1[CH:53]=[C:52]([OH:54])[CH:51]=[CH:50][C:46]=1[C:47](O)=[O:48].Cl.CN(C)CCCN=C=NCC>ClCCl>[NH3:3].[Cl:44][C:45]1[CH:53]=[C:52]([OH:54])[CH:51]=[CH:50][C:46]=1[C:47]([NH:8][CH2:9][CH2:10][C:11]1[CH:12]=[CH:13][C:14]([O:15][CH2:16][CH2:17][C:18]2[CH:23]=[CH:22][C:21]([OH:24])=[C:20]([C@@H:25]([C:35]3[CH:36]=[CH:37][CH:38]=[CH:39][CH:40]=3)[CH2:26][CH2:27][N:28]([CH:32]([CH3:33])[CH3:34])[CH:29]([CH3:31])[CH3:30])[CH:19]=2)=[CH:41][CH:42]=1)=[O:48] | 2 |
C(=O)(OC(C)(C)C)N[C@H](C(C)C)C(=O)O>N(C)(C)C=O.C1CCCO1.CNC.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.F[P-](F)(F)(F)(F)F>CN(C[C@@H](C(C)C)N)C | 3 |
C(C)(C)(C)OC(=O)N1C2CN(C(C1)C2)C2=NC(=CC=1N2C=CN1)C1=CC(=NC=C1)NCC1=CC=CC2=CC=CC=C12>>[C@@H]12N(C[C@@H](NC1)C2)C2=NC(=CC=1N2C=CN1)C1=CC(=NC=C1)NCC1=CC=CC2=CC=CC=C12 | 5 |
C1C(CC12OCCO2)N2N=CC(=C2)C2=NC1=C(C(=CC=C1N=C2)OC=2C=CC1=C(N(C(=N1)C)COCC[Si](C)(C)C)C2)Cl>C(=O)(C(F)(F)F)O>C1C(CC12OCCO2)N2N=CC(=C2)C2=NC1=C(C(=CC=C1N=C2)OC=2C=CC1=C(NC(=N1)C)C2)Cl | 3 |
[CH3:1][N:2]([CH3:19])[C:3]1[CH:18]=[CH:17][CH:16]=[CH:15][C:4]=1[CH2:5][S:6][C:7]1[NH:8][C:9]([CH3:14])([CH3:13])[C:10](=[O:12])[N:11]=1.[H-].[Na+].CI.[C:24](OCC)(=O)C>CN(C)C=O.O>[CH3:24][N:11]1[C:10](=[O:12])[C:9]([CH3:14])([CH3:13])[N:8]=[C:7]1[S:6][CH2:5][C:4]1[CH:15]=[CH:16][CH:17]=[CH:18][C:3]=1[N:2]([CH3:1])[CH3:19] | 1 |
[CH2:1]([O:3][C:4](=[O:18])/[CH:5]=[N:6]/[NH:7][C:8]1[CH:9]=[C:10]([CH:15]=[CH:16][CH:17]=1)[C:11]([O:13][CH3:14])=[O:12])[CH3:2].[N+]([C:22]([CH2:49][CH2:50][CH2:51][CH3:52])=[CH:23][C:24]1[CH:36]=[CH:35][C:27]([C:28]([O:30][C:31]([CH3:34])([CH3:33])[CH3:32])=[O:29])=[CH:26][C:25]=1[C:37]([N:39]1[CH2:48][CH2:47][C:46]2[C:41](=[CH:42][CH:43]=[CH:44][CH:45]=2)[CH2:40]1)=[O:38])([O-])=O>>[C:31]([O:30][C:28]([C:27]1[CH:35]=[CH:36][C:24]([C:23]2[C:5]([C:4]([O:3][CH2:1][CH3:2])=[O:18])=[N:6][N:7]([C:8]3[CH:17]=[CH:16][CH:15]=[C:10]([C:11]([O:13][CH3:14])=[O:12])[CH:9]=3)[C:22]=2[CH2:49][CH2:50][CH2:51][CH3:52])=[C:25]([C:37]([N:39]2[CH2:48][CH2:47][C:46]3[C:41](=[CH:42][CH:43]=[CH:44][CH:45]=3)[CH2:40]2)=[O:38])[CH:26]=1)=[O:29])([CH3:32])([CH3:33])[CH3:34] | 1 |
O1CC[C@@H](C2=CC=CC=C12)NC(=O)C=1C=NC2=C(C=CC=C2C1N(C)C)C1=CCCCC1>C1CCCO1.[HH].C(C)(=O)OCC.[Pd]>O1CCC(C2=CC=CC=C12)NC(=O)C=1C=NC2=C(C=CC=C2C1N(C)C)C1CCCCC1 | 3 |
[Na].[F:2][C:3]1[CH:8]=[CH:7][C:6]([C:9](=[O:17])[CH2:10][C:11]2[CH:16]=[CH:15][N:14]=[CH:13][CH:12]=2)=[CH:5][CH:4]=1.Br[CH2:19][C:20]([O:22][CH2:23][CH3:24])=[O:21]>C(O)C>[F:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]([CH:10]([C:11]2[CH:16]=[CH:15][N:14]=[CH:13][CH:12]=2)[CH2:19][C:20]([O:22][CH2:23][CH3:24])=[O:21])=[O:17])=[CH:5][CH:4]=1 | 1 |
N1C=NC2=C1C=CC=C2.ClC1(SC=CC1=O)C(=O)OC>C(Cl)(Cl)(Cl)[H].C(C)(=O)O>N1(C=NC2=C1C=CC=C2)C2=CC(=C(S2)C(=O)OC)O | 3 |
C[Mg]Cl.CSSC.BrC1=C(C(=O)O)C=CC(=C1)F>>FC1=CC(=C(C(=O)O)C=C1)SC | 5 |
C[C@@H](C1=CC=CC=C1)N.COC(=O)C1N2N(CCC1)C(=C(C2=O)C2=CC=C(C=C2)F)C=2N(CN=CC2)S(=O)(=O)C>>COC(=O)C1N2N(CCC1)C(=C(C2=O)C2=CC=C(C=C2)F)C2=NC(=NC=C2)N[C@@H](C)C2=CC=CC=C2 | 5 |
ClC=1C=CC2=C(C(NC(O2)=O)=O)C1.C(C)OC(CCCCCCCBr)=O>>ClC1=CC=C(C(C(=O)NCCCCCCCC(=O)O)=C1)O | 5 |
C(C1=CC=CC=C1)O.C(C)(C)(C)OC(=O)N1CCOCCC1CC(=O)O>C1(=CC=CC=C1)C.CCN(CC)CC.C1=CC=C(C=C1)OP(=O)(N=[N+]=[N-])OC2=CC=CC=C2>C(C1=CC=CC=C1)OC(=O)NCC1N(CCOCC1)C(=O)OC(C)(C)C | 3 |
[Cl:1][C:2]1[C:3]([OH:11])=[N:4][CH:5]=[C:6]([CH:10]=1)[C:7](Cl)=[O:8].[C:12]([O-])(=O)CC([O-])=O.C(C(CC)(O[Mg+2])C)C>O1CCCC1>[OH:11][C:3]1[C:2]([Cl:1])=[CH:10][C:6]([C:7](=[O:8])[CH3:12])=[CH:5][N:4]=1 | 1 |
C(C)OC1=CC=C(C=C1)C(C1=C(C=C(C(=C1)O)C(OC)(C1=CC=C(C=C1)OCC)C1=CC=C(C=C1)OCC)O)(OC)C1=CC=C(C=C1)OCC>>C(C)OC1=CC=2OC3=CC=4C(=CC3=C(C2C=C1)C1=CC=C(C=C1)OCC)OC1=CC(=CC=C1C4C4=CC=C(C=C4)OCC)OCC | 5 |
ClC1=C(C=CC(=C1)OC)O.ClC1=NC(=NC(=C1)Cl)SC>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>ClC1=CC(=NC(=N1)SC)OC1=C(C=C(C=C1)OC)Cl | 3 |
Cl.N12CC(C(CC1)CC2)=O.IC1=C(N)C=C(C=C1)C>[Mg+2].[O-]S([O-])(=O)=O.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.N12CCN(CC1)CC2>CC=1C=CC=2C3=C(NC2C1)C1CCN3CC1 | 3 |
ClC1=CC=C(C(=N1)OC)C(CC(=O)O)C(C)C>N(C)(C)C=O.ClCCl.C(C)(C)N(C(C)C)CC.[Cl-].[NH4+].F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>ClC1=CC=C(C(=N1)OC)C(CC(=O)N)C(C)C | 3 |
Br[C:2]1[N:11]=[C:10]2[C:5]([CH:6]=[CH:7][N:8]([CH2:13][C:14]3[CH:19]=[CH:18][C:17]([F:20])=[C:16]([F:21])[CH:15]=3)[C:9]2=[O:12])=[N:4][CH:3]=1.[C:22]1([CH2:28][C:29]#[CH:30])[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1.C(N(CC)CC)C>CN(C)C=O.[Cu]I.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>[F:21][C:16]1[CH:15]=[C:14]([CH:19]=[CH:18][C:17]=1[F:20])[CH2:13][N:8]1[CH:7]=[CH:6][C:5]2[C:10](=[N:11][C:2]([C:30]#[C:29][CH2:28][C:22]3[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=3)=[CH:3][N:4]=2)[C:9]1=[O:12] | 2 |
O(C1=CC=CC=C1)C1=CC=C(C=C1)CC(=O)O.CN(C(CN(C1=NNC2=CC=C(C=C12)N)C)=O)C>>CN(C(CN(C1=NNC2=CC=C(C=C12)NC(CC1=CC=C(C=C1)OCC1=CC=CC=C1)=O)C)=O)C | 5 |
Cl.S1N=C(C=N1)OC[C@H]1CN(C(O1)=O)C1=CC(=C(C=C1)C1=CCNCC1)F.CC1(OC[C@@H](O1)C(=O)Cl)C>>S1N=C(C=N1)OC[C@H]1CN(C(O1)=O)C1=CC(=C(C=C1)C1=CCN(CC1)C(=O)[C@@H]1OC(OC1)(C)C)F | 5 |
C([CH:3]=[CH2:4])=O.C([O:8][C:9](=[O:11])[CH3:10])(=O)C.C[P:13]([O:20]CCCC)(=O)OCCCC.[CH2:25]([OH:29])CCC.[C-]#[N:31].[Na+].[Cl-].[NH4+].Cl>N.C(O)(=O)C.C(O)C>[NH4+:31].[NH2:31][CH:10]([CH2:4][CH2:3][PH:13]([CH2:25][OH:29])=[O:20])[C:9]([O-:8])=[O:11] | 1 |
[CH3:1][O:2][C:3]1[C:12]([NH:13][C:14](=[O:22])OC2C=CC=CC=2)=[CH:11][C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[N:4]=1.[C:23]1([N:33]2[CH2:38][CH2:37][NH:36][CH2:35][CH2:34]2)[C:32]2[C:27](=[CH:28][CH:29]=[CH:30][CH:31]=2)[CH:26]=[CH:25][CH:24]=1>>[CH3:1][O:2][C:3]1[C:12]([NH:13][C:14]([N:36]2[CH2:35][CH2:34][N:33]([C:23]3[C:32]4[C:27](=[CH:28][CH:29]=[CH:30][CH:31]=4)[CH:26]=[CH:25][CH:24]=3)[CH2:38][CH2:37]2)=[O:22])=[CH:11][C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[N:4]=1 | 1 |
C(N)(=O)C=1C=C(C=NC1)NC(C(=O)O)=O.C[C@@H]1CC[C@H](NC1)C1=CC=C(S1)C(=O)N>N(C)(C)C=O.CCN(CC)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C(N)(=O)C1=CC=C(S1)[C@H]1N(C[C@@H](CC1)C)C(C(=O)NC=1C=C(C=NC1)C(=O)N)=O | 3 |
[CH3:1][N:2]([CH3:13])[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12].[C:14](=[O:19])([O:17]C)[O:15][CH3:16]>CO>[CH3:16][O:15][C:14](=[O:17])[O-:19].[CH3:1][N+:2]([CH3:14])([CH3:13])[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12] | 2 |
C(C)(C)(C)OC(=O)N[C@@H](C(=O)NCC1=CC=CC=C1)CCCC>C1CCCO1.Cl>C(C1=CC=CC=C1)N1C([C@@H](N(C=C1)C(=O)OC(C)(C)C)CCCC)=O | 3 |
[CH:1]1[C:10]2C=CC[C:6](=O)[C:5]=2C=C[N:2]=1.[NH2:12]O.[CH2:14]([OH:16])C.[N:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1>>[NH:2]1[C:1]2[C:20]3[CH:19]=[CH:18][N:17]=[CH:22][C:21]=3[CH2:6][CH2:5][C:10]=2[NH:12][C:14]1=[O:16] | 1 |
N1N=NC2=C1C=CC=C2.NC(C(CCC(=O)OC)N1C(C2=CC=CC(=C2C1)OCC1=CC=C(C=C1)CBr)=O)=O>>N1(N=NC2=C1C=CC=C2)CC2=CC=C(COC1=C3CN(C(C3=CC=C1)=O)C(CCC(=O)OC)C(=O)N)C=C2 | 5 |
C(C)(C)(C)OC(=O)N1CCCC=C1C=1C=C2C=NN(C2=CC1)C(=O)OC(C)(C)C>O.C(=O)(C(F)(F)F)O.[OH-].[Na+]>N=1CCCCC1C=1C=C2C=NNC2=CC1 | 3 |
Cl.Cl.NC1CCN(C2CCCCC2(CCC2C=C(C3C=CC([Cl:31])=C(Cl)C=3)C=CC=2)O)CC1.[Cl:33][C:34]1[CH:35]=[C:36]([C:41]2[CH:46]=[CH:45][CH:44]=[C:43]([CH:47]([C:63]3([OH:69])[CH2:68][CH2:67][CH2:66][CH2:65][CH2:64]3)[CH2:48][N:49]3[CH2:54][CH2:53][CH:52]([NH:55]C(=O)OC(C)(C)C)[CH2:51][CH2:50]3)[CH:42]=2)[CH:37]=[CH:38][C:39]=1[Cl:40].Cl>>[ClH:31].[ClH:33].[NH2:55][CH:52]1[CH2:53][CH2:54][N:49]([CH2:48][CH:47]([C:63]2([OH:69])[CH2:68][CH2:67][CH2:66][CH2:65][CH2:64]2)[C:43]2[CH:42]=[C:41]([C:36]3[CH:37]=[CH:38][C:39]([Cl:40])=[C:34]([Cl:33])[CH:35]=3)[CH:46]=[CH:45][CH:44]=2)[CH2:50][CH2:51]1 | 1 |
C([N-]C(C)C)(C)C.[Li+].[NH:9]1[CH:13]=[CH:12][C:11]([C:14]2[N:19]=[C:18]([CH3:20])[C:17]([C:21]3[CH:26]=[CH:25][C:24]([CH3:27])=[CH:23][C:22]=3[F:28])=[C:16]([CH3:29])[N:15]=2)=[N:10]1.[CH:30](=O)[CH:31]([CH3:33])[CH3:32]>O1CCCC1.[Cl-].[NH4+]>[NH:9]1[CH:13]=[CH:12][C:11]([C:14]2[N:19]=[C:18]([CH3:20])[C:17]([C:21]3[CH:26]=[CH:25][C:24]([CH3:27])=[CH:23][C:22]=3[F:28])=[C:16]([CH:29]=[CH:30][CH:31]([CH3:33])[CH3:32])[N:15]=2)=[N:10]1 | 2 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[O:12][N:11]=[C:10]([CH3:13])[C:9]=2[CH:14]([OH:17])[C:15]#[CH:16])=[CH:4][CH:3]=1.O.[N:19]([CH2:22][C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1)=[N+:20]=[N-:21].O=C1O[C@H]([C@H](CO)O)C([O-])=C1O.[Na+]>CS(C)=O.O.O.O.O.O.S([O-])([O-])(=O)=O.[Cu+2]>[CH2:22]([N:19]1[CH:16]=[C:15]([CH:14]([C:9]2[C:10]([CH3:13])=[N:11][O:12][C:8]=2[C:5]2[CH:4]=[CH:3][C:2]([Br:1])=[CH:7][CH:6]=2)[OH:17])[N:21]=[N:20]1)[C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1 | 1 |
C(C)N(CCN)CC.ClC1=C(OC2=C(C=C(C=O)C=C2)OC)C=CC(=C1)C(F)(F)F.S=C1NC(SC1)=O>>ClC1=C(OC2=C(C=C(C=C2)\C=C/2\C(=NC(S2)=O)NCCN(CC)CC)OC)C=CC(=C1)C(F)(F)F | 5 |
[Cl:1][C:2]1[N:3]=[CH:4][C:5]2[S:10][CH:9]=[C:8]([C:11]([OH:13])=O)[C:6]=2[N:7]=1.[CH3:14][O:15][C:16]1[CH:17]=[C:18]([CH:20]=[C:21]([O:25][CH3:26])[C:22]=1[O:23][CH3:24])[NH2:19].C(N(CC)C(C)C)(C)C.C1CN(C(ON2N=NC3C2=CC=CC=3)=[N+]2CCCC2)CC1.F[P-](F)(F)(F)(F)F>ClCCl.O.CN(C)C=O>[CH3:26][O:25][C:21]1[CH:20]=[C:18]([NH:19][C:11]([C:8]2[C:6]3[N:7]=[C:2]([Cl:1])[N:3]=[CH:4][C:5]=3[S:10][CH:9]=2)=[O:13])[CH:17]=[C:16]([O:15][CH3:14])[C:22]=1[O:23][CH3:24] | 1 |
ClC1=CC2=C(N3C(=NN=C3CNC2)[C@@H]2CC[C@H](CC2)C2=NC=CC=C2F)C=C1>>ClC1=CC2=C(N3C(=NN=C3CN(C2)C(C)C)[C@@H]2CC[C@H](CC2)C2=NC=CC=C2F)C=C1 | 5 |
[C:1]1([C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[C:7]([N:9]1[CH2:16][CH:15]2[CH:11]([CH2:12][NH:13][CH2:14]2)[CH2:10]1)=[O:8].Cl[C:24]1[CH:29]=[CH:28][CH:27]=[C:26]([CH3:30])[N:25]=1>>[C:1]1([C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[C:7]([N:9]1[CH2:10][CH:11]2[CH:15]([CH2:14][N:13]([C:24]3[CH:29]=[CH:28][CH:27]=[C:26]([CH3:30])[N:25]=3)[CH2:12]2)[CH2:16]1)=[O:8] | 1 |
[C:1]([O:5][C:6]([NH:8][CH2:9][C:10]1[CH:15]=[CH:14][C:13]([CH:16]([OH:22])[CH2:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[CH:12][C:11]=1[F:23])=[O:7])([CH3:4])([CH3:3])[CH3:2]>O1CCOCC1.[O-2].[O-2].[Mn+4]>[C:1]([O:5][C:6]([NH:8][CH2:9][C:10]1[CH:15]=[CH:14][C:13]([C:16](=[O:22])[CH2:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[CH:12][C:11]=1[F:23])=[O:7])([CH3:4])([CH3:2])[CH3:3] | 1 |
NCCCOC1=CC2=C(CC(C(N(C2)C)=O)CC(=O)OC)C=C1.CSC=1NCCN1>>N1C(=NCC1)NCCCOC1=CC2=C(CC(C(N(C2)C)=O)CC(=O)OC)C=C1 | 5 |
ClC=1C=C(C=CC1Cl)[N+](=O)[O-]>C(CN)N>[N+](=O)([O-])C1=CC(=C(NCCN)C=C1)Cl | 3 |
C(C)OC(CC(C(=O)O)=C)=O>CO[H].[HH].[Pd]C>C(C)OC(CC(C(=O)O)C)=O | 3 |
N1N=CC=2C1=NC=C(N2)C(=O)OC>O.CO[H].[OH-].[Na+]>N1N=CC=2C1=NC=C(N2)C(=O)O | 3 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8]Br)=[C:4]([F:10])[CH:3]=1.[C-:11]#[N:12].[Na+]>CCO>[Br:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][C:11]#[N:12])=[C:4]([F:10])[CH:3]=1 | 1 |
C(=O)OCC.CC(C)C(CCC(C)C)=O>CC(C)(C)[O-].[K+].C1CCCO1>OC=C(C(C(C)C)=O)CC(C)C | 3 |
C(CC)C1=NN(C=C1CCCCO)C1=NC=C(C=C1)C(F)(F)F.OC1=CC(=C(C=C1)CCC(=O)OC)OC>>COC1=C(C=CC(=C1)OCCCCC=1C(=NN(C1)C1=NC=C(C=C1)C(F)(F)F)CCC)CCC(=O)O | 5 |
C(C)(C)(C)[Si](C)(C)Cl.OC[C@@H]1C[C@H](CC1)O>N(C)(C)C=O.c1cnc[nH]1>[Si](C)(C)(C(C)(C)C)OC[C@@H]1C[C@H](CC1)O | 3 |
[I-].BrC1=C(C=CC(=C1)[N+](=O)[O-])C(C)(C)C1=CC=[N+](C=C1)C>CO[H].ClCCl.[Na+].[BH4-]>BrC1=C(C=CC(=C1)[N+](=O)[O-])C(C)(C)C=1CCN(CC1)C | 3 |
[Cl:1][C:2]1[CH:11]=[C:10]([Cl:12])[CH:9]=[CH:8][C:3]=1[C:4](=[O:7])[CH2:5]Cl.[C:13]1(=[O:23])[NH:17][C:16](=[O:18])[C:15]2=[CH:19][CH:20]=[CH:21][CH:22]=[C:14]12.C([O-])([O-])=O.[Cs+].[Cs+]>CN(C=O)C>[Cl:1][C:2]1[CH:11]=[C:10]([Cl:12])[CH:9]=[CH:8][C:3]=1[C:4](=[O:7])[CH2:5][N:17]1[C:13](=[O:23])[C:14]2[C:15](=[CH:19][CH:20]=[CH:21][CH:22]=2)[C:16]1=[O:18] | 1 |
[O:1]=[C:2]1[C:10](=[O:11])[C:9]2[C:4](=[CH:5][CH:6]=[C:7]([C:12]3([C:16]([OH:18])=[O:17])[CH2:15][CH2:14][CH2:13]3)[CH:8]=2)[NH:3]1.O.[C:20]1(C)C=CC(S(O)(=O)=O)=C[CH:21]=1>C(O)C>[O:1]=[C:2]1[C:10](=[O:11])[C:9]2[C:4](=[CH:5][CH:6]=[C:7]([C:12]3([C:16]([O:18][CH2:20][CH3:21])=[O:17])[CH2:13][CH2:14][CH2:15]3)[CH:8]=2)[NH:3]1 | 1 |
C1(=CC=CC=C1)P(C1=CC=CC=C1)(C1=CC=CC=C1)=CC=O.FC(C=1C=C(C=O)C=CC1)(F)F>CC#N>FC(C=1C=C(C=CC1)/C=C/C=O)(F)F | 3 |
COCCBr.[Si](C)(C)(C(C)(C)C)OC[C@H](CSC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)O>N(C)(C)C=O.O.C1CCCO1.[H-].[Na+]>C[Si](OC[C@@H](OCCOC)CSC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)(C(C)(C)C)C | 3 |
C(#N)C(C)(C)C=1C=C(C(=O)O)C=CC1.Cl.NC=1C=CC(=C(C1)NC(=O)C1=CC=2C(=NC=CN2)S1)C>>C(#N)C(C)(C)C=1C=C(C=CC1)NC(NC=1C=CC(=C(C1)NC(=O)C1=CC=2C(=NC=CN2)S1)C)=O | 5 |
[CH:1]1[C:13]2[CH:12]([CH2:14][O:15][C:16]([NH:18][C@:19]3([C:23](O)=[O:24])[CH2:21][C@@H:20]3[CH3:22])=[O:17])[C:11]3[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=3)[C:5]=2[CH:4]=[CH:3][CH:2]=1.C(Cl)(=O)C(Cl)=O.C(N(CC)CC)C.[NH2:39][C:40]1[S:41][C:42]([CH3:55])=[C:43]([CH3:54])[C:44]=1[C:45]([C:47]1[CH:52]=[CH:51][C:50]([Cl:53])=[CH:49][CH:48]=1)=[O:46]>CN(C=O)C.C(Cl)Cl>[Cl:53][C:50]1[CH:51]=[CH:52][C:47]([C:45]([C:44]2[C:43]([CH3:54])=[C:42]([CH3:55])[S:41][C:40]=2[NH:39][C:23]([C@@:19]2([NH:18][C:16](=[O:17])[O:15][CH2:14][CH:12]3[C:11]4[CH:10]=[CH:9][CH:8]=[CH:7][C:6]=4[C:5]4[C:13]3=[CH:1][CH:2]=[CH:3][CH:4]=4)[CH2:21][C@@H:20]2[CH3:22])=[O:24])=[O:46])=[CH:48][CH:49]=1 | 1 |
[O:1]1[CH2:6][CH2:5][N:4]([C:7]2[C:8]3[N:9]([CH:32]=[C:33]([NH:35][C:36]([C:38]4[CH:47]=[CH:46][C:45]5[C:40](=[CH:41][CH:42]=[CH:43][CH:44]=5)[N:39]=4)=[O:37])[N:34]=3)[C:10]([C:13]3[CH:14]=[CH:15][C:16]([N:19]4[CH2:24][CH2:23][N:22](C(OC(C)(C)C)=O)[CH2:21][CH2:20]4)=[N:17][CH:18]=3)=[CH:11][N:12]=2)[CH2:3][CH2:2]1.C(Cl)[Cl:49]>C(O)(C(F)(F)F)=O.CO>[ClH:49].[O:1]1[CH2:6][CH2:5][N:4]([C:7]2[C:8]3[N:9]([CH:32]=[C:33]([NH:35][C:36]([C:38]4[CH:47]=[CH:46][C:45]5[C:40](=[CH:41][CH:42]=[CH:43][CH:44]=5)[N:39]=4)=[O:37])[N:34]=3)[C:10]([C:13]3[CH:18]=[N:17][C:16]([N:19]4[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]4)=[CH:15][CH:14]=3)=[CH:11][N:12]=2)[CH2:3][CH2:2]1 | 1 |
ClC=1C=CN2N=C(N(C(C21)=O)C2=CC=CC=C2)[C@@H]2C[C@H](CN2C2=C1N=CN(C1=NC=N2)C2OCCCC2)C#N>Cl>ClC=1C=CN2N=C(N(C(C21)=O)C2=CC=CC=C2)[C@@H]2C[C@H](CN2C2=C1N=CNC1=NC=N2)C#N | 3 |
[C:1]([C:4]1(C(OC)=O)[CH2:9][CH2:8][O:7][CH2:6][CH2:5]1)(=[O:3])[CH3:2].Cl>>[C:1]([CH:4]1[CH2:9][CH2:8][O:7][CH2:6][CH2:5]1)(=[O:3])[CH3:2] | 1 |
BrC1=C(C(=NC=C1)N)N.N1(CCOCC1)C(=O)C1=CC=C(C=O)C=C1>>BrC1=C2C(=NC=C1)NC(=N2)C2=CC=C(C=C2)C(=O)N2CCOCC2 | 5 |
C(C1=CC=CC=C1)Br.CC=1C=C2C(C(NC2=CC1)=O)=O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(C1=CC=CC=C1)N1C(=O)C(=O)C2=CC(=CC=C12)C | 3 |
FC1=C(CC[C@H]2CN(CCN2S(=O)(=O)C2=CC=CC=C2)C(=O)OC(C)(C)C)C(=CC=C1)NC(C(C(C1=CC=CC=C1)C1=CC=CC=C1)O)=O>ClCCl.C(=O)(C(F)(F)F)O>FC=1C(=C(C=CC1)NC([C@H](C(C1=CC=CC=C1)C1=CC=CC=C1)O)=O)CC[C@@H]1N(CCNC1)S(=O)(=O)C1=CC=CC=C1 | 3 |
[CH:1]1([C:7]2[C:13]3[CH:14]=[CH:15][CH:16]=[CH:17][C:12]=3[NH:11][C:10](=[O:18])[CH:9]([NH:19][C:20]([O:22][CH2:23][C:24]3[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=3)=[O:21])[N:8]=2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[H-].[Na+].I[CH3:33]>CN(C)C=O>[CH:1]1([C:7]2[C:13]3[CH:14]=[CH:15][CH:16]=[CH:17][C:12]=3[N:11]([CH3:33])[C:10](=[O:18])[CH:9]([NH:19][C:20]([O:22][CH2:23][C:24]3[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=3)=[O:21])[N:8]=2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1 | 1 |
[CH2:1]([O:8][CH2:9][CH2:10][C@H:11]([O:17]C(=O)C)[C:12]([CH3:16])([CH3:15])[C:13]#[N:14])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[OH-].[Na+].O>CO>[CH2:1]([O:8][CH2:9][CH2:10][C@H:11]([OH:17])[C:12]([CH3:15])([CH3:16])[C:13]#[N:14])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
[CH3:1][O:2][C:3]([C@H:5]1[CH2:10][N:9]([C:11]2[CH:16]=[CH:15][C:14]([C:17]([F:20])([F:19])[F:18])=[CH:13][N:12]=2)[CH2:8][CH2:7][N:6]1[S:21]([C:24]1[CH:29]=[CH:28][C:27]([CH3:30])=[C:26]([CH2:31][C:32]([O:34]CC2C=CC([N+]([O-])=O)=CC=2)=[O:33])[CH:25]=1)(=[O:23])=[O:22])=[O:4].C1CCC=CC=1.C(O)C>[Pd].CO>[CH3:1][O:2][C:3]([C@H:5]1[CH2:10][N:9]([C:11]2[CH:16]=[CH:15][C:14]([C:17]([F:20])([F:18])[F:19])=[CH:13][N:12]=2)[CH2:8][CH2:7][N:6]1[S:21]([C:24]1[CH:29]=[CH:28][C:27]([CH3:30])=[C:26]([CH2:31][C:32]([OH:34])=[O:33])[CH:25]=1)(=[O:22])=[O:23])=[O:4] | 2 |
Br[C:2]1[CH:7]=[CH:6][C:5]([C:8]([F:11])([F:10])[F:9])=[CH:4][CH:3]=1.C(OCC)C.C([Li])CCC.C(O[B:26]1[O:30][C:29]([CH3:32])([CH3:31])[C:28]([CH3:34])([CH3:33])[O:27]1)(C)C>O>[F:9][C:8]([F:11])([F:10])[C:5]1[CH:6]=[CH:7][C:2]([B:26]2[O:30][C:29]([CH3:32])([CH3:31])[C:28]([CH3:34])([CH3:33])[O:27]2)=[CH:3][CH:4]=1 | 1 |
C(#N)C1(CC1)C=1C=C(C=NC1)NC1=CC=C(C=N1)C1=CC=C(C(=O)N(C)C)C=C1>O(O[H])[H].CO[H].C([O-])([O-])=O.[K+].[K+].CS(=O)C>C(N)(=O)C1(CC1)C=1C=C(C=NC1)NC1=CC=C(C=N1)C1=CC=C(C(=O)N(C)C)C=C1 | 3 |
[F-].C([N+](CCCC)(CCCC)CCCC)CCC.[Si]([O:26][C@@H:27]([CH2:38][O:39][CH:40]1[CH2:43][CH2:42][CH2:41]1)[C:28]([NH:30][C:31]1[CH:36]=[N:35][C:34]([CH3:37])=[CH:33][N:32]=1)=[O:29])(C(C)(C)C)(C)C>O1CCCC1>[CH:40]1([O:39][CH2:38][C@H:27]([OH:26])[C:28]([NH:30][C:31]2[CH:36]=[N:35][C:34]([CH3:37])=[CH:33][N:32]=2)=[O:29])[CH2:43][CH2:42][CH2:41]1 | 1 |
[NH:1]1[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[CH:3]([C:10](OCC)=[O:11])[CH2:2]1.[H-].[Al+3].[Li+].[H-].[H-].[H-].O>C1COCC1>[NH:1]1[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[CH:3]([CH2:10][OH:11])[CH2:2]1 | 1 |
[C:1]([CH2:20][CH2:21][OH:22])([C:4]([C:7]([C:10]([C:13]([C:16]([F:19])([F:18])[F:17])([F:15])[F:14])([F:12])[F:11])([F:9])[F:8])([F:6])[F:5])([F:3])[F:2].O1CCCC1.[OH-].[Na+].Br[CH2:31][CH2:32][CH2:33][CH2:34][CH3:35]>[Cl-].C([N+](CC)(CC)CC)C1C=CC=CC=1.O.C1CCCCC1>[C:1]([CH2:20][CH2:21][O:22][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])([C:4]([C:7]([C:10]([C:13]([C:16]([F:17])([F:18])[F:19])([F:14])[F:15])([F:12])[F:11])([F:9])[F:8])([F:6])[F:5])([F:3])[F:2] | 2 |
BrC1=C(C(=C2C(=NC(=NC2=C1F)OC[C@]12CCCN2C[C@@H](C1)F)O)OC[C@H](\C=C\I)NCC(F)F)Cl>O.CCN(CC)CC.O1CCOCC1.P(=O)(Cl)(Cl)Cl>BrC=1C(=C2C=3C(=NC(=NC3C1F)OC[C@]13CCCN3C[C@@H](C1)F)N(C(CO2)\C=C\I)CC(F)F)Cl | 3 |
[F:1][C:2]1[C:3]2[O:14][CH2:13][O:12][C:9]([C:10]=1[F:11])=[CH:8][C:4]=2[C:5](Cl)=[O:6].Cl.[CH3:16][O:17][NH:18][CH3:19].N1C=CC=CC=1>C(Cl)Cl>[CH3:19][N:18]([O:17][CH3:16])[C:5](=[O:6])[C:4]1[CH:8]=[C:9]2[O:12][CH2:13][O:14][C:3]=1[C:2]([F:1])=[C:10]2[F:11] | 1 |
ClC1=C(C(=CC=C1)Cl)CCOCCN1CCC(CC1)O>>ClC1=C(C(=CC=C1)Cl)CCOCCN1CCC(CC1)=O | 5 |
NS(=O)(=O)C=1C=C(C(=O)N[C@H](C)C2=CC(=CC=C2)Cl)C=CC1Cl>C1CCCO1.B>ClC1=C(C=C(C=C1)CN[C@H](C)C1=CC(=CC=C1)Cl)S(=O)(=O)N | 3 |
[Cl:1][C:2]1[N:3]=[CH:4][C:5]2[N:11]([CH3:12])[C:10](=[O:13])[C:9]([F:15])([F:14])[CH2:8][NH:7][C:6]=2[N:16]=1.C(=O)([O-])[O-].[Cs+].[Cs+].I[CH2:24][CH2:25][O:26][C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1>CN(C)C=O>[Cl:1][C:2]1[N:3]=[CH:4][C:5]2[N:11]([CH3:12])[C:10](=[O:13])[C:9]([F:15])([F:14])[CH2:8][N:7]([CH2:24][CH2:25][O:26][C:27]3[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=3)[C:6]=2[N:16]=1 | 1 |
[S-:1][C:2]#[N:3].[NH4+].Cl.[CH2:6](Cl)[C:7]1[CH:12]=[CH:11][CH:10]=[N:9][CH:8]=1.[CH2:14]([O:19][C:20]1[CH:26]=[CH:25][C:23]([NH2:24])=[CH:22][C:21]=1[C:27]([F:30])([F:29])[F:28])[CH2:15][CH2:16][CH2:17][CH3:18].CC(C)=[O:33]>C(Cl)Cl>[CH2:14]([O:19][C:20]1[CH:26]=[CH:25][C:23]([NH:24][C:2]([NH:3][C:6]([C:7]2[CH:8]=[N:9][CH:10]=[CH:11][CH:12]=2)=[O:33])=[S:1])=[CH:22][C:21]=1[C:27]([F:28])([F:29])[F:30])[CH2:15][CH2:16][CH2:17][CH3:18] | 1 |
FC1=CC=C(N)C=C1.BrC=1C=CC(=NC1)C1OCCO1>>O1C(OCC1)C1=CC=C(C=N1)NC1=CC=C(C=C1)F | 5 |
C(C)(C)(C)OC(NC1CC1)=O>>C(C)(C)(C)OC(N(C1CC1)N=O)=O | 5 |
[NH2:1][C:2]1[CH:3]=[CH:4][C:5]([O:25][CH3:26])=[C:6]([NH:8][S:9]([C:12]2[CH:17]=[CH:16][C:15]([C:18]3[O:19][C:20]([CH3:23])=[CH:21][CH:22]=3)=[C:14]([F:24])[CH:13]=2)(=[O:11])=[O:10])[CH:7]=1.C(N(CC)C(C)C)(C)C.[CH3:36][C:37]([O:40][C:41]([N:43]([CH3:49])[C@H:44]([C:46](O)=[O:47])[CH3:45])=[O:42])([CH3:39])[CH3:38].CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>ClCCl.CO>[F:24][C:14]1[CH:13]=[C:12]([S:9]([NH:8][C:6]2[CH:7]=[C:2]([NH:1][C:46](=[O:47])[C@@H:44]([N:43]([CH3:49])[C:41](=[O:42])[O:40][C:37]([CH3:36])([CH3:39])[CH3:38])[CH3:45])[CH:3]=[CH:4][C:5]=2[O:25][CH3:26])(=[O:11])=[O:10])[CH:17]=[CH:16][C:15]=1[C:18]1[O:19][C:20]([CH3:23])=[CH:21][CH:22]=1 | 2 |
Cl.[2H]C(C(C([2H])([2H])[2H])(N)C)([2H])[2H].ClC=1C=C(C(=O)NCC2CCN(CC2)CC(=O)O[Li])C=C(C1)F>O.ClCCl.C(C)(C)N(C(C)C)CC.CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC>ClC=1C=C(C(=O)NCC2CCN(CC2)CC(NC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C)=O)C=C(C1)F | 3 |
[N+:1]([C:4]1[CH:5]=[CH:6][C:7]([CH2:10][CH2:11][CH2:12][C:13]2[S:14][CH:15]=[CH:16][N:17]=2)=[N:8][CH:9]=1)([O-])=O.[NH4+].[Cl-]>O.CO.[Fe]>[S:14]1[CH:15]=[CH:16][N:17]=[C:13]1[CH2:12][CH2:11][CH2:10][C:7]1[N:8]=[CH:9][C:4]([NH2:1])=[CH:5][CH:6]=1 | 1 |
NC1C=C(C(F)(F)F)C(OC)=CC=1C(C1C=CC=CC=1Cl)=O.NC1C(C)=NN(CC=C)C=1Cl.[Cl:34][C:35]1[CH:40]=[CH:39][CH:38]=[CH:37][C:36]=1[C:41]1[C:47]2[CH:48]=[C:49]([O:56][CH3:57])[C:50]([C:52]([F:55])([F:54])[F:53])=[CH:51][C:46]=2[N:45]=[C:44]2[N:58](CC=C)[NH:59][C:60]([CH3:61])=[C:43]2[N:42]=1.[H-].C([Al+]CC(C)C)C(C)C>>[Cl:34][C:35]1[CH:40]=[CH:39][CH:38]=[CH:37][C:36]=1[C:41]1[C:47]2[CH:48]=[C:49]([O:56][CH3:57])[C:50]([C:52]([F:54])([F:55])[F:53])=[CH:51][C:46]=2[N:45]=[C:44]2[NH:58][NH:59][C:60]([CH3:61])=[C:43]2[N:42]=1 | 1 |
CI.C(#N)C=1C=CC(=C(C(=O)OC)C1)O>C([O-])([O-])=O.[K+].[K+].CC(=O)C>COC1=C(C(=O)OC)C=C(C=C1)C#N | 3 |
C1(=CC=C2C=CC3=CC=CC4=CC=C1C2=C34)C=O.OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12>C1CCCO1.CCN(CC)CC>OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12.C1=CC=C2C=CC3=CC=CC4=CC=C1C2=C34 | 3 |
CC1(OC(=O)CC(=O)O1)C.C(=O)(OC(C)(C)C)NCCC(=O)O>>C(C)(C)(C)OC(NCCC(O)=C1C(OC(OC1=O)(C)C)=O)=O | 5 |
[OH:1][CH2:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][CH:12]=1)[N:9]=[CH:8][CH:7]=[CH:6]2.C(N(CC)CC)C.[CH3:20][S:21](Cl)(=[O:23])=[O:22]>ClCCl>[CH3:20][S:21]([O:1][CH2:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][CH:12]=1)[N:9]=[CH:8][CH:7]=[CH:6]2)(=[O:23])=[O:22] | 1 |
[CH2:1]([N:8]1[CH:12]=[C:11](B(O)O)[CH:10]=[N:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.Br[C:17]1[CH:18]=[C:19]([CH:21]=[CH:22][CH:23]=1)[NH2:20].C([O-])([O-])=O.[Na+].[Na+]>COCCOC.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>[CH2:1]([N:8]1[CH:12]=[C:11]([C:17]2[CH:18]=[C:19]([NH2:20])[CH:21]=[CH:22][CH:23]=2)[CH:10]=[N:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
[O:1]1[CH2:7][CH:6]([C:8]2[C:16]3[S:15][C:14]([NH2:17])=[N:13][C:12]=3[C:11]([O:18][CH3:19])=[CH:10][CH:9]=2)[CH2:5][O:4][CH2:3][CH2:2]1.Cl[C:21](OC1C=CC=CC=1)=[O:22].[OH:30][CH:31]1[CH2:36][CH2:35][NH:34][CH2:33][CH2:32]1>>[O:4]1[CH2:5][CH:6]([C:8]2[C:16]3[S:15][C:14]([NH:17][C:21]([N:34]4[CH2:35][CH2:36][CH:31]([OH:30])[CH2:32][CH2:33]4)=[O:22])=[N:13][C:12]=3[C:11]([O:18][CH3:19])=[CH:10][CH:9]=2)[CH2:7][O:1][CH2:2][CH2:3]1 | 1 |
FC(OC1=CC=C(C=C1)N1CCN(CC1)C(=O)Cl)(F)F.ClC=1N(C=C(N1)[N+](=O)[O-])CC(CO)(C)O>C1(=CC=CC=C1)C.C1(=CC=NC=C1)N(C)C.C(C)(C)N(C(C)C)CC>FC(OC1=CC=C(C=C1)N1CCN(CC1)C(=O)OCC(CN1C(=NC(=C1)[N+](=O)[O-])Cl)(C)O)(F)F | 3 |
C1(CC1)[C@@H]1NC2=C(C(N(C=3C=CC(=CC23)NC2=NC(=NC=C2Cl)Cl)C)=O)OCC1(F)F.[C@H]12N(C[C@H](NC1)C2)CC2CCN(CC2)C=2C=CC=C1C(=NN(C21)C)C2C(NC(CC2)=O)=O>CS(=O)C.C(C)(C)N(C(C)C)CC>ClC=1C(=NC(=NC1)N1[C@H]2CN([C@@H](C1)C2)CC2CCN(CC2)C=2C=CC=C1C(=NN(C21)C)C2C(NC(CC2)=O)=O)NC2=CC=1C3=C(C(N(C1C=C2)C)=O)OCC([C@@H](N3)C3CC3)(F)F | 3 |
C1=C(C(=CC=C1)Br)Br>S(O)(O)(=O)=O.ClCCCl>BrC=1C=C(C=CC1Br)S(=O)(=O)O | 3 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([OH:9])=[CH:5][CH:4]=1.[H-].[Na+].Br[C:13]1[CH:14]=[N:15][CH:16]=[C:17]([Br:19])[CH:18]=1.O>CN(C)C=O.C(OCC)(=O)C>[Br:19][C:17]1[CH:16]=[N:15][CH:14]=[C:13]([O:9][C:6]2[CH:7]=[CH:8][C:3]([O:2][CH3:1])=[CH:4][CH:5]=2)[CH:18]=1 | 1 |
ClC=1C=C(C=CC1C#N)C=1C(=NN(C1C)CC1=CC=C(C(=O)O)C=C1)C>C1(=CC=CC=C1)C.CCN(CC)CC.C1=CC=C(C=C1)OP(=O)(N=[N+]=[N-])OC2=CC=CC=C2>ClC=1C=C(C=CC1C#N)C=1C(=NN(C1C)CC1=CC=C(C=C1)NC(OC(C)(C)C)=O)C | 3 |
CN(C)C=O.[CH2:6]([C:13]1[N:14]=[C:15]([C:19]2[CH:24]=[CH:23][C:22]3[O:25][CH2:26][O:27][C:21]=3[CH:20]=2)[S:16][C:17]=1Br)[C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1.[C:28]([C:30]1([OH:38])[CH:35]2[CH2:36][CH2:37][N:32]([CH2:33][CH2:34]2)[CH2:31]1)#[CH:29].N>C(OCC)(=O)C.C(N(CC)CC)C>[CH2:6]([C:13]1[N:14]=[C:15]([C:19]2[CH:24]=[CH:23][C:22]3[O:25][CH2:26][O:27][C:21]=3[CH:20]=2)[S:16][C:17]=1[C:29]#[C:28][C:30]1([OH:38])[CH:35]2[CH2:36][CH2:37][N:32]([CH2:33][CH2:34]2)[CH2:31]1)[C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1 | 1 |
CC1=CNC2=CC=CC=C2C1=O.BrC1=C(C=CC(=C1)[N+](=O)[O-])OC1=C(C=C(C=C1)F)F>[Cu]I.N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+].N1=CC=CC2=CC=C3C=CC=NC3=C12>FC1=C(OC2=C(C=C(C=C2)[N+](=O)[O-])N2C=C(C(C3=CC=CC=C23)=O)C)C=CC(=C1)F | 3 |
NC=1C2=C(SC1C(=O)OC)C=CC=C2>>COC(=O)C1=C(C2=C(S1)C=CC=C2)N=CN(C)C | 5 |
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