smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
OC(C(F)(F)F)=O.[NH2:8][C:9]1([C:32]([NH2:34])=[O:33])[CH2:14][CH2:13][N:12]([C:15]([C:17]2[C:18]3[CH:31]=[CH:30][CH:29]=[CH:28][C:19]=3[S:20][C:21]=2[NH:22][C:23]([NH:25][CH2:26][CH3:27])=[O:24])=[O:16])[CH2:11][CH2:10]1.C(O)(=O)C.[CH2:39]([O:41][C:42](OCC)([O:50]CC)[CH2:43][CH2:44][C:45](OCC)=O)[CH3:40]>C1(C)C=CC=CC=1.CN(C=O)C>[CH2:26]([NH:25][C:23](=[O:24])[NH:22][C:21]1[S:20][C:19]2[CH:28]=[CH:29][CH:30]=[CH:31][C:18]=2[C:17]=1[C:15]([N:12]1[CH2:11][CH2:10][C:9]2([N:8]=[C:45]([CH2:44][CH2:43][C:42]([O:41][CH2:39][CH3:40])=[O:50])[NH:34][C:32]2=[O:33])[CH2:14][CH2:13]1)=[O:16])[CH3:27] | 1 |
C[Mg]I.[CH3:4]I.[Mg].[O:7]=[C:8]([CH2:33][O:34][CH2:35][CH2:36][CH3:37])[CH:9]=[CH:10][CH:11]1[CH2:19][CH2:18][C:13]2([O:17][CH2:16][CH2:15][O:14]2)[CH:12]1[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][C:26]([O:28][Si](C)(C)C)=[O:27].[Cl-].[NH4+]>C(OCC)C>[OH:7][C:8]([CH3:4])([CH2:33][O:34][CH2:35][CH2:36][CH3:37])[CH:9]=[CH:10][CH:11]1[CH2:19][CH2:18][C:13]2([O:17][CH2:16][CH2:15][O:14]2)[CH:12]1[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][C:26]([OH:28])=[O:27] | 1 |
O1CCN(CC1)C1=CC=C(C=N1)NC1=NC(=CC=2N=CNC(C21)=O)Cl>>NCCNC1=CC=2N=CNC(C2C(=N1)NC=1C=NC(=CC1)N1CCOCC1)=O | 5 |
N1(C=NC2=C1C=CC=C2)C2=CCC1C3CCC4=CC(CC[C@@]4(C3CC[C@]21C)C)=O>CO[H].[Na+].[BH4-].C(C)(=O)OCC.O.O.O.O.O.O.O.[Cl-].[Ce+3].[Cl-].[Cl-]>N1(C=NC2=C1C=CC=C2)C2=CCC1C3CCC4=C[C@H](CC[C@@]4(C3CC[C@]21C)C)O | 3 |
BrC1=CC(=C(CNC[C@@H]2CC[C@H](CC2)CNC2=NC3=CC=CC=C3C(=N2)N(C)C)C=C1)OC(F)(F)F>ClCCl.C=O.C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>BrC1=CC(=C(CN(C)C[C@@H]2CC[C@H](CC2)CNC2=NC3=CC=CC=C3C(=N2)N(C)C)C=C1)OC(F)(F)F | 3 |
CI.ClC=1C2=C(C(NN1)=O)N(C=C2)C2=C(C=C(C=C2C)C)C>>ClC=1C2=C(C(N(N1)C)=O)N(C=C2)C2=C(C=C(C=C2C)C)C | 5 |
C(C)(=O)N1CCNCC1.BrC1=C(C=C(C=C1)S(=O)(=O)N(CC(C)C)C1=CC=C(C=C1)CC)S(=O)(=N)C>>C(C)(=O)N1CCN(CC1)C1=C(C=C(C=C1)S(=O)(=O)N(CC(C)C)C1=CC=C(C=C1)CC)S(=O)(=N)C | 3 |
NC1=C(C(=O)NC)C=CC=C1.ClC1=NC(=NC=C1C(F)(F)F)NC=1C=C2C(=NC1)NC=C2>CC#N.N(C)(C)C=O.O.C(C)(C)N(C(C)C)CC>N1C=CC=2C1=NC=C(C2)NC2=NC=C(C(=N2)O)C(F)(F)F | 3 |
[CH2:1]([N:7]([CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH3:13])[CH2:2][CH2:3][CH2:4][CH2:5][CH3:6].[CH:20]([OH:22])=[O:21].[CH3:23]O>O>[CH2:14]([N:7]([CH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH3:13])[CH2:15][CH2:16][CH2:17][CH2:18][CH3:19].[CH:20]([O:22][CH3:23])=[O:21] | 1 |
COC1=C(CCN2CCC(CC2)OC2CCN(CC2)C(=O)OC(C)(C)C)C(=CC(=C1)C1=CN(C(C(=C1C)C)=O)C)OC>CO[H].Cl>COC=1C=C(C=C(C1CCN1CCC(CC1)OC1CCNCC1)OC)C=1C(=C(C(N(C1)C)=O)C)C | 3 |
P(C(C)(C)C)(C(C)(C)C)C(C)(C)C.Br[C:15]1[CH:32]=[CH:31][C:18]2[N:19]([CH:24]3[CH2:29][CH2:28][N:27]([CH3:30])[CH2:26][CH2:25]3)[CH2:20][CH2:21][CH2:22][CH2:23][C:17]=2[CH:16]=1.[Li+].C[Si]([N-:38][Si](C)(C)C)(C)C.Cl.[OH-].[Na+]>C1COCC1.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]>[CH3:30][N:27]1[CH2:28][CH2:29][CH:24]([N:19]2[CH2:20][CH2:21][CH2:22][CH2:23][C:17]3[CH:16]=[C:15]([NH2:38])[CH:32]=[CH:31][C:18]2=3)[CH2:25][CH2:26]1 | 1 |
O[C@]12[C@]3(C)[C@@H](C[C@H]1C2)[C@@H]2CCC=1CC(CCC1[C@H]2CC3)=O>c1ccncc1>O[C@]12[C@]3(C)[C@@H](C[C@H]1C2)[C@@H]2CCC1=CC(CCC1=C2CC3)=O | 3 |
N[C:2]1[CH:7]=[CH:6][C:5]([S:8]([NH2:11])(=[O:10])=[O:9])=[CH:4][C:3]=1[S:12][C:13]1[CH:18]=[CH:17][C:16]([Cl:19])=[CH:15][CH:14]=1.[CH3:20][S:21](Cl)(=[O:23])=[O:22].[N:25]1C=CC=CC=1>>[Cl:19][C:16]1[CH:17]=[CH:18][C:13]([S:12][C:3]2[C:4]([NH2:25])=[C:5]([S:8]([NH2:11])(=[O:10])=[O:9])[CH:6]=[CH:7][C:2]=2[S:21]([CH3:20])(=[O:23])=[O:22])=[CH:14][CH:15]=1 | 1 |
[C:1]([C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][N:4]=1)#[CH:2].[Cl:9][C:10]1[CH:15]=[CH:14][C:13](/[C:16](/[C:33]2[CH:38]=[CH:37][C:36](I)=[CH:35][CH:34]=2)=[CH:17]/[CH2:18][O:19][C:20]2[CH:31]=[CH:30][C:23]([O:24][CH2:25][C:26]([O:28][CH3:29])=[O:27])=[C:22]([CH3:32])[CH:21]=2)=[CH:12][CH:11]=1>O1CCCC1.C(N(CC)CC)C.C1C=CC=CC=1.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.[Cu]I>[Cl:9][C:10]1[CH:11]=[CH:12][C:13](/[C:16](/[C:33]2[CH:34]=[CH:35][C:36]([C:2]#[C:1][C:3]3[CH:8]=[CH:7][CH:6]=[CH:5][N:4]=3)=[CH:37][CH:38]=2)=[CH:17]/[CH2:18][O:19][C:20]2[CH:31]=[CH:30][C:23]([O:24][CH2:25][C:26]([O:28][CH3:29])=[O:27])=[C:22]([CH3:32])[CH:21]=2)=[CH:14][CH:15]=1 | 1 |
[Cl-].COC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.[PH5].C(C)(C)(C)OC(=O)N1[C@H]2CN(C[C@@H]1C(C2)=O)CC2=CC=CC=C2>O.C1CCCO1.C(C)(=O)OCC.C(C)(C)[N-]C(C)C.[Li+]>C(C)(C)(C)OC(=O)N1[C@H]2CN(C[C@@H]1/C(/C2)=C/OC)CC2=CC=CC=C2 | 3 |
F[P-](F)(F)(F)(F)F.C[N+](C)=C(N(C)C)ON1C2N=CC=CC=2N=N1.[NH2:25][C:26]1[N:35]=[C:34]([N:36]2[CH2:41][CH2:40][N:39]([CH3:42])[CH2:38][CH2:37]2)[C:33]2[C:28](=[CH:29][C:30]([C:43](O)=[O:44])=[CH:31][CH:32]=2)[N:27]=1.C(N(CC)C(C)C)(C)C.[NH2:55][C@@H:56]([CH2:61][C:62]1[CH:67]=[CH:66][C:65]([C:68]2[CH:73]=[CH:72][CH:71]=[CH:70][CH:69]=2)=[CH:64][CH:63]=1)[C:57]([O:59][CH3:60])=[O:58]>CN(C)C=O>[NH2:25][C:26]1[N:35]=[C:34]([N:36]2[CH2:37][CH2:38][N:39]([CH3:42])[CH2:40][CH2:41]2)[C:33]2[C:28](=[CH:29][C:30]([C:43]([NH:55][C@@H:56]([CH2:61][C:62]3[CH:67]=[CH:66][C:65]([C:68]4[CH:73]=[CH:72][CH:71]=[CH:70][CH:69]=4)=[CH:64][CH:63]=3)[C:57]([O:59][CH3:60])=[O:58])=[O:44])=[CH:31][CH:32]=2)[N:27]=1 | 1 |
C(C)(C)(C)C1=CC=C(C=C1)CCO>>C(C)(C)(C)C1=CC=C(C=C1)CC=O | 5 |
FC=1C=C(N)C=C(C1)F.BrC=1C=C(C=C2C(C=C(OC12)SCC)=O)C(=O)OC>>FC=1C=C(C=C(C1)F)NC(C)C=1C=C(C=C2C(C=C(OC12)SCC)=O)C(=O)OC | 5 |
[F:1][C:2]1[CH:10]=[CH:9][CH:8]=[CH:7][C:3]=1[C:4](O)=[O:5].P(Cl)(Cl)(Cl)(Cl)[Cl:12].C1(O)C=CC=CC=1>C(OCC)C.CO.O>[Cl:12][C:4](=[O:5])[C:3]1[CH:7]=[CH:8][CH:9]=[CH:10][C:2]=1[F:1] | 1 |
ClC1=NC(=CC=C1)Cl.C(C)(C)(C)OC(=O)N1CCC(CC1)C(=O)OC>C1CCCO1.Cl.C(CCC)[Li].C(C)(C)NC(C)C.CCCCC.C(C)CCCC.CC(C)CC>ClC1=CC=CC(=N1)C1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)OC | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[CH2:8][NH:9][OH:10].N1C=CC=CC=1.[Cl:17][CH2:18][C:19]([CH3:24])([CH3:23])[C:20](Cl)=[O:21].NO>C(Cl)Cl.CCCCCC>[Cl:17][CH2:18][C:19]([CH3:24])([CH3:23])[C:20]([N:9]([CH2:8][C:3]1[CH:4]=[CH:5][CH:6]=[CH:7][C:2]=1[Cl:1])[OH:10])=[O:21] | 1 |
C(C)(C)(C)OC(=O)N1CCN(CC1)C1=NC=C(C=C1)[N+](=O)[O-]>CO[H].[HH].[Pd]>C(C)(C)(C)OC(=O)N1CCN(CC1)C1=NC=C(C=C1)N | 3 |
[OH:1][CH2:2][CH:3]1[CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4]1.Br[CH:16]([CH3:18])[CH3:17]>O>[CH:3]1([CH2:2][O:1][CH:16]([CH3:18])[CH3:17])[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]1 | 1 |
C(C1=CC=CC=C1)[C@@H]([C@@H](CNCC1=CC(=CC=C1)C(F)(F)F)O)NC(=O)C=1C=C(C=C2C(N(C=NC12)C(CCC)CCC)=O)Cl>[HH].[Pd].O1CCOCC1>C(C1=CC=CC=C1)[C@@H]([C@@H](CNCC1=CC(=CC=C1)C(F)(F)F)O)NC(=O)C=1C=CC=C2C(N(C=NC12)C(CCC)CCC)=O | 3 |
ClC=1C=CC(=C(C1)CC#N)OCC1=CC=CC=C1>CO[H]>Cl.ClC=1C=CC(=C(C1)CC(OC)=N)OCC1=CC=CC=C1 | 3 |
[F:1][C:2]1[C:20]([F:21])=[CH:19][CH:18]=[CH:17][C:3]=1[CH2:4][N:5]1[C:9]2[CH:10]=[N:11][C:12]([C:14]([OH:16])=O)=[CH:13][C:8]=2[N:7]=[CH:6]1.[O:22]([NH2:29])[C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1>>[F:1][C:2]1[C:20]([F:21])=[CH:19][CH:18]=[CH:17][C:3]=1[CH2:4][N:5]1[C:9]2[CH:10]=[N:11][C:12]([C:14]([NH:29][O:22][C:23]3[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=3)=[O:16])=[CH:13][C:8]=2[N:7]=[CH:6]1 | 1 |
C(C)(C)OC(=O)Cl.Cl.C1=CC=CC=2C(C3=C(C=CC21)C=CC=C3)=C3CCN(CC3)C(CN)=O>ClCCl.CCN(CC)CC>C1=CC=CC=2C(C3=C(C=CC21)C=CC=C3)=C3CCN(CC3)C(CNC(OC(C)C)=O)=O | 3 |
C([O:4][CH:5]1[N:11]=[C:10]([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=2[Cl:18])[C:9]2[CH:19]=[C:20]([CH2:22][CH3:23])[S:21][C:8]=2[N:7]2[N:24]=[C:25]([C:27]([NH2:29])=[O:28])[N:26]=[C:6]12)(=O)C.CO.[OH-].[Na+].Cl>O>[Cl:18][C:13]1[CH:14]=[CH:15][CH:16]=[CH:17][C:12]=1[C:10]1[C:9]2[CH:19]=[C:20]([CH2:22][CH3:23])[S:21][C:8]=2[N:7]2[N:24]=[C:25]([C:27]([NH2:29])=[O:28])[N:26]=[C:6]2[CH:5]([OH:4])[N:11]=1 | 1 |
Cl.C(C)(C)(C)N1C[C@H]([C@@H](C1)C1=C(C=C(C=C1)F)F)C(=O)O.C(C1=CC=CC=C1)OC(=O)N[C@@H](CC)C1=C(C=C(C(=C1)C)C)C1CCN(CC1)C(=O)OC(C)(C)C>ClCCl.Cl.C(C)(=O)OCC.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>C(C)(C)(C)N1C[C@H]([C@@H](C1)C1=C(C=C(C=C1)F)F)C(=O)N1CCC(CC1)C1=C(C=C(C(=C1)C)C)[C@H](CC)NC(OCC1=CC=CC=C1)=O | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH2:22][C:23]([O:25][CH3:26])=[O:24])[CH:5]=[CH:6][C:7]=1[O:8][C:9]1[CH:18]=[CH:17][C:12]2[NH:13][C:14]([CH3:16])=[N:15][C:11]=2[C:10]=1[N+:19]([O-])=O.O.O.[Sn](Cl)(Cl)(Cl)Cl>C(OCC)(=O)C>[NH2:19][C:10]1[C:11]2[N:15]=[C:14]([CH3:16])[NH:13][C:12]=2[CH:17]=[CH:18][C:9]=1[O:8][C:7]1[CH:6]=[CH:5][C:4]([CH2:22][C:23]([O:25][CH3:26])=[O:24])=[CH:3][C:2]=1[Cl:1] | 1 |
FC(S(=O)(=O)O[Si](C)(C)C(C)(C)C)(F)F.O[C@@H](CC([C@H](CC1(SCCCS1)C[C@@H]1O[C@H](CC1)[C@@H](\C=C\C=C(C)C)O[Si](CC)(CC)CC)C)=O)[C@@H](\C(=C\I)\C)C>O.C1(=NC(=CC=C1)C)C.ClCCl>[Si](C)(C)(C(C)(C)C)O[C@H](CC([C@H](CC1(SCCCS1)C[C@@H]1O[C@H](CC1)[C@@H](\C=C\C=C(C)C)O[Si](CC)(CC)CC)C)=O)[C@@H](\C(=C\I)\C)C | 3 |
C(N(C(C)C)CC)(C)C.[CH3:10][O:11][CH2:12]Cl.[Si:14]([O:31][CH2:32][CH2:33][C@@H:34]([OH:55])[C@H:35]([C:46]1[CH:51]=[C:50]([F:52])[C:49]([F:53])=[C:48]([F:54])[CH:47]=1)[C:36]([O:38][CH2:39][C:40]1[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=1)=[O:37])([C:27]([CH3:30])([CH3:29])[CH3:28])([C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1)[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1>ClCCCl>[Si:14]([O:31][CH2:32][CH2:33][C@@H:34]([O:55][CH2:10][O:11][CH3:12])[C@H:35]([C:46]1[CH:51]=[C:50]([F:52])[C:49]([F:53])=[C:48]([F:54])[CH:47]=1)[C:36]([O:38][CH2:39][C:40]1[CH:41]=[CH:42][CH:43]=[CH:44][CH:45]=1)=[O:37])([C:27]([CH3:30])([CH3:29])[CH3:28])([C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1)[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1 | 1 |
C(OC([NH:8][C:9]1[CH:14]=[CH:13][C:12]([C:15]2[S:16][CH:17]=[CH:18][CH:19]=2)=[CH:11][C:10]=1[NH:20][C:21]([C:23]1[CH:24]=[C:25]2[C:30](=[CH:31][CH:32]=1)[N:29]([C:33]([O:35][CH2:36][C:37]1[CH:38]=[N:39][CH:40]=[CH:41][CH:42]=1)=[O:34])[CH2:28][CH2:27][CH2:26]2)=[O:22])=O)(C)(C)C.C([O-])(O)=O.[Na+].[OH-].[K+]>>[NH2:8][C:9]1[CH:14]=[CH:13][C:12]([C:15]2[S:16][CH:17]=[CH:18][CH:19]=2)=[CH:11][C:10]=1[NH:20][C:21]([C:23]1[CH:24]=[C:25]2[C:30](=[CH:31][CH:32]=1)[N:29]([C:33]([O:35][CH2:36][C:37]1[CH:38]=[N:39][CH:40]=[CH:41][CH:42]=1)=[O:34])[CH2:28][CH2:27][CH2:26]2)=[O:22] | 1 |
ClC1=C(C2CCC1C2)C=O>ClCCl.C(=O)(OCC)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1>ClC1=C(C2CCC1C2)/C=C/C(=O)OCC | 3 |
CI.FC1=C(C(=O)NC(N(C)C2=C(C=C(C=C2)SC(F)(F)F)F)=O)C(=CC=C1)F>[H-].[Na+].CN1C(CCC1)=O>FC1=C(C(=O)N(C(=O)N(C)C2=C(C=C(C=C2)SC(F)(F)F)F)C)C(=CC=C1)F | 3 |
C(#N)C=1C(=C(C=CC1F)[C@@H]1CN2[C@@H](CO1)CN(CC2)C(=O)OC(C)(C)C)C>>FC(C(=O)O)(F)F.FC1=CC=C(C(=C1C#N)C)[C@@H]1CN2[C@@H](CO1)CNCC2 | 5 |
C(CCC)C1=CC=C(C=C1)C#CC1=CC=C(CN(C=2C=CC3=C(OC(OC3=O)(C)C)C2)CCCCCC)C=C1>>C(CCC)C1=CC=C(C=C1)C#CC1=CC=C(CN(C2=CC(=C(C(=O)O)C=C2)O)CCCCCC)C=C1 | 5 |
[Mn]([O-])(=O)(=O)=O.[K+].N1C=CC=CC=1.[C:13]([C:21]1[CH:22]=[CH:23]C(C)=[C:25]([N:27]([C:31]2[CH:36]=[CH:35][C:34]([F:37])=[CH:33][CH:32]=2)[C:28](=[O:30])[CH3:29])[CH:26]=1)(=[O:20])[C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1.Cl.[C:40]([O:43]CC)(=[O:42])[CH3:41]>O>[C:13]([C:21]1[CH:22]=[CH:23][C:41]([C:40]([OH:43])=[O:42])=[C:25]([N:27]([C:31]2[CH:32]=[CH:33][C:34]([F:37])=[CH:35][CH:36]=2)[C:28](=[O:30])[CH3:29])[CH:26]=1)(=[O:20])[C:14]1[CH:15]=[CH:16][CH:17]=[CH:18][CH:19]=1 | 1 |
[CH3:1][CH:2]([CH3:30])[C:3]([NH:5][C:6]1[CH:11]=[CH:10][CH:9]=[C:8]([CH:12]2[CH2:17][CH2:16][N:15]([CH2:18][CH2:19][CH2:20][CH2:21][C:22](=O)[C:23]3[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=3)[CH2:14][CH2:13]2)[CH:7]=1)=[O:4].C(N)(=O)CC.Cl.[CH3:37][O:38][C:39]1[CH:44]=[CH:43][CH:42]=[CH:41][C:40]=1[NH:45]N>>[CH3:37][O:38][C:39]1[CH:44]=[CH:43][CH:42]=[C:41]2[C:40]=1[NH:45][C:22]([C:23]1[CH:24]=[CH:25][CH:26]=[CH:27][CH:28]=1)=[C:21]2[CH2:20][CH2:19][CH2:18][N:15]1[CH2:16][CH2:17][CH:12]([C:8]2[CH:7]=[C:6]([NH:5][C:3](=[O:4])[CH:2]([CH3:1])[CH3:30])[CH:11]=[CH:10][CH:9]=2)[CH2:13][CH2:14]1 | 1 |
C(C)OC(=O)C=1C2=C(C(=NC1)N)C(=CS2)COC2=C(C=C(C=C2)OC)Cl>>OCCNC(=O)C=1C2=C(C(=NC1)N)C(=CS2)COC2=C(C=C(C=C2)OC)Cl | 5 |
CC1=CC=CC(=N1)C(=O)O>>C(C)OC(=O)C1=NC(=CC=C1)C | 5 |
[CH3:1][N:2]([CH3:4])O.[H-].[Na+].[Cl:7][C:8]1[CH:9]=[CH:10][C:11]2[N:17]3[C:18]([CH2:21]Cl)=[N:19][N:20]=[C:16]3[CH2:15][N:14]=[C:13]([C:23]3[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=3)[C:12]=2[CH:29]=1>CN(C)C=O>[Cl:7][C:8]1[CH:9]=[CH:10][C:11]2[N:17]3[C:18]([CH2:21][N:2]([CH3:4])[CH3:1])=[N:19][N:20]=[C:16]3[CH2:15][N:14]=[C:13]([C:23]3[CH:24]=[CH:25][CH:26]=[CH:27][CH:28]=3)[C:12]=2[CH:29]=1 | 1 |
COC=1C(=CC=CC1)N.ClC1=C(C(=CC=C1)Cl)[N+](=O)[O-]>>ClC=1C(=C(NC2=C(C=CC=C2)OC)C=CC1)[N+](=O)[O-] | 5 |
[C:1]([O:5][C:6]([N:8]1[CH2:11][C:10](=[O:12])[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[N+:13]([CH3:16])([O-:15])=[O:14].C(N(CC)CC)C>C(O)C>[C:1]([O:5][C:6]([N:8]1[CH2:9][C:10]([OH:12])([CH2:16][N+:13]([O-:15])=[O:14])[CH2:11]1)=[O:7])([CH3:4])([CH3:2])[CH3:3] | 1 |
[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[C:7]1[O:8][C:9]2[CH2:14][NH:13][CH2:12][C:10]=2[N:11]=1.Cl[C:16]1[C:21]([C:22]#[N:23])=[CH:20][CH:19]=[CH:18][N:17]=1>CN(C=O)C>[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[C:7]1[O:8][C:9]2[CH2:14][N:13]([C:16]3[C:21]([C:22]#[N:23])=[CH:20][CH:19]=[CH:18][N:17]=3)[CH2:12][C:10]=2[N:11]=1 | 2 |
OC[C@H]1CNC[C@@H]1C1=CSC=C1.ClC1=C(C=O)C=CC(=C1)Cl>>ClC1=C(CN2C[C@@H]([C@H](C2)C2=CSC=C2)C=O)C=CC(=C1)Cl | 5 |
[BH4-].[Na+].[N+:3]([C:6]1[CH:15]=[CH:14][CH:13]=[CH:12][C:7]=1/[CH:8]=[CH:9]/[CH:10]=[O:11])([O-:5])=[O:4].[Cl-].[Ce+3].[Cl-].[Cl-].[NH4+].[Cl-]>CO>[N+:3]([C:6]1[CH:15]=[CH:14][CH:13]=[CH:12][C:7]=1[CH:8]=[CH:9][CH2:10][OH:11])([O-:5])=[O:4] | 1 |
N1C(=CC=C1)C(=O)O>CO[H].Cl[Si](C)(C)C>N1C(=CC=C1)C(=O)OC | 3 |
[NH2:1][C:2]1[C:23]([NH2:24])=[CH:22][C:5]2[CH2:6][C@@H:7]3[C:12]([CH3:14])([CH3:13])[C@:11]([CH3:15])([C:4]=2[CH:3]=1)[CH2:10][CH2:9][N:8]3[C:16](=[O:21])[C:17]([F:20])([F:19])[F:18].[C:25](O)(=O)[CH3:26]>>[F:19][C:17]([F:20])([F:18])[C:16]([N:8]1[CH2:9][CH2:10][C@:11]2([CH3:15])[C:12]([CH3:13])([CH3:14])[C@H:7]1[CH2:6][C:5]1[CH:22]=[C:23]3[N:24]=[C:25]([CH3:26])[NH:1][C:2]3=[CH:3][C:4]=12)=[O:21] | 1 |
O=C1NCCCC12CCN(CC2)C(=O)OC(C)(C)C>ClCCl.Cl.O1CCOCC1>Cl.C1(NCCCC12CCNCC2)=O | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:23]=[CH:24][C:25]=1[Cl:26])[CH2:5][N:6]1[C:14]2[C:9](=[C:10]([N+:15]([O-])=O)[CH:11]=[CH:12][CH:13]=2)[CH:8]=[C:7]1[C:18]([O:20][CH2:21][CH3:22])=[O:19].[OH-].[Na+]>O1CCCC1.[Cl-].[Cl-].[Cl-].[Ti+3]>[Cl:1][C:2]1[CH:3]=[C:4]([CH:23]=[CH:24][C:25]=1[Cl:26])[CH2:5][N:6]1[C:14]2[C:9](=[C:10]([NH2:15])[CH:11]=[CH:12][CH:13]=2)[CH:8]=[C:7]1[C:18]([O:20][CH2:21][CH3:22])=[O:19] | 1 |
CO[C:3]1[C:4](=[O:10])[C:5](=[O:9])[C:6]=1[O:7][CH3:8].[NH2:11][C:12]1[C:13]([F:31])=[C:14]([CH:28]=[CH:29][CH:30]=1)[C:15]([N:17]1[CH2:21][CH2:20][CH2:19][C@H:18]1[C:22]([O:24][CH:25]([CH3:27])[CH3:26])=[O:23])=[O:16]>CO>[F:31][C:13]1[C:12]([NH:11][C:3]2[C:4](=[O:10])[C:5](=[O:9])[C:6]=2[O:7][CH3:8])=[CH:30][CH:29]=[CH:28][C:14]=1[C:15]([N:17]1[CH2:21][CH2:20][CH2:19][C@H:18]1[C:22]([O:24][CH:25]([CH3:27])[CH3:26])=[O:23])=[O:16] | 1 |
C1(=CC=CC=C1)C=O>CO[H].[Na+].[BH4-].CCN(CC)CC>C(C1=CC=CC=C1)NCC(C(=O)O)O | 3 |
C(OC)(=O)C1C=CC(C([O-])=O)=CC=1.C1(N=C=NC2CCCCC2)CCCCC1.C([O:31][C:32]([C:34]1([NH:57]C(OC(C)(C)C)=O)[CH2:39][CH:38]([NH:40][C:41](=[O:51])[C:42]2[CH:47]=[CH:46][C:45]([C:48]([OH:50])=[O:49])=[CH:44][CH:43]=2)[CH:37]2[CH:35]1[CH:36]2[C:52]([O:54]CC)=[O:53])=[O:33])C>>[NH2:57][C:34]1([C:32]([OH:33])=[O:31])[CH2:39][CH:38]([NH:40][C:41](=[O:51])[C:42]2[CH:43]=[CH:44][C:45]([C:48]([OH:50])=[O:49])=[CH:46][CH:47]=2)[CH:37]2[CH:35]1[CH:36]2[C:52]([OH:54])=[O:53] | 2 |
Br[C:2]1[CH:3]=[CH:4][C:5]2[C:6]3[CH2:22][N:21]([C:23]([O:25][C:26]([CH3:29])([CH3:28])[CH3:27])=[O:24])[CH2:20][CH2:19][C:7]=3[N:8]([CH2:11][O:12][CH2:13][CH2:14][Si](C)(C)C)[C:9]=2[CH:10]=1.[CH2:30]([O:37][C:38]1[CH:43]=[CH:42][N:41]=[CH:40][CH:39]=1)[C:31]1[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=1.C([O-])([O-])=[O:45].[K+].[K+]>[Cu]I.CS(C)=O>[CH2:30]([O:37][C:38]1[CH:43]=[CH:42][N:41]([C:2]2[CH:3]=[CH:4][C:5]3[C:6]4[CH2:22][N:21]([C:23]([O:25][C:26]([CH3:29])([CH3:28])[CH3:27])=[O:24])[CH2:20][CH2:19][C:7]=4[N:8]([CH2:11][O:12][CH2:13][CH3:14])[C:9]=3[CH:10]=2)[C:40](=[O:45])[CH:39]=1)[C:31]1[CH:32]=[CH:33][CH:34]=[CH:35][CH:36]=1 | 2 |
Cl.[F:2][C:3]1[CH:8]=[CH:7][C:6]([NH:9]N)=[CH:5][CH:4]=1.CC[O:13][C:14]([CH:16]1[CH2:22][CH2:21][C:19](=O)[CH2:18][CH2:17]1)=[O:15].[OH-].[Na+].[NH4+]>C(O)C>[F:2][C:3]1[CH:8]=[C:7]2[C:6](=[CH:5][CH:4]=1)[NH:9][C:19]1[CH2:21][CH2:22][CH:16]([C:14]([OH:15])=[O:13])[CH2:17][C:18]2=1 | 1 |
C([Sn](Cl)(CCCC)CCCC)CCC.[N-:15]=[N+:16]=[N-:17].[Na+].[C:19]([CH2:21][NH:22][C@@H:23]([CH2:41][C:42]1[CH:47]=[CH:46][C:45]([F:48])=[CH:44][CH:43]=1)[C:24]([NH:26][C:27]1[N:31]([CH3:32])[N:30]=[C:29]([C:33]2[CH:38]=[CH:37][N:36]=[C:35]([NH:39][CH3:40])[CH:34]=2)[CH:28]=1)=[O:25])#[N:20]>CN(C=O)C.O>[NH:15]1[C:19]([CH2:21][NH:22][C@@H:23]([CH2:41][C:42]2[CH:43]=[CH:44][C:45]([F:48])=[CH:46][CH:47]=2)[C:24]([NH:26][C:27]2[N:31]([CH3:32])[N:30]=[C:29]([C:33]3[CH:38]=[CH:37][N:36]=[C:35]([NH:39][CH3:40])[CH:34]=3)[CH:28]=2)=[O:25])=[N:20][N:17]=[N:16]1 | 2 |
F\C(\C(=O)OCC)=C/C1=NC(=CN=C1)C>CO[H].Cl.[OH-].[Na+]>F\C(\C(=O)O)=C/C1=NC(=CN=C1)C | 3 |
Cl[C:2]1[C:7]([C:8]([O:10][CH2:11][CH3:12])=[O:9])=[C:6]([CH2:13][CH3:14])[N:5]=[C:4]2[N:15]([CH2:18][CH3:19])[N:16]=[CH:17][C:3]=12.C(O)(=O)C.[NH2:24][CH:25]1[CH2:30][CH2:29][O:28][CH2:27][CH2:26]1.C(=O)([O-])[O-].[K+].[K+].[Cl-].[Na+]>CN1CCCC1=O.[Cl-].[Na+].O.C(OCC)(=O)C.O>[CH2:18]([N:15]1[C:4]2=[N:5][C:6]([CH2:13][CH3:14])=[C:7]([C:8]([O:10][CH2:11][CH3:12])=[O:9])[C:2]([NH:24][CH:25]3[CH2:30][CH2:29][O:28][CH2:27][CH2:26]3)=[C:3]2[CH:17]=[N:16]1)[CH3:19] | 1 |
Cl[C:2]1[N:7]=[CH:6][C:5]([C:8]([NH:10][C:11]2[CH:16]=[C:15]([C:17]3[S:18][CH:19]=[CH:20][CH:21]=3)[CH:14]=[CH:13][C:12]=2[NH:22]C(=O)OC(C)(C)C)=[O:9])=[CH:4][CH:3]=1.CCN(CC)CC.[CH2:37]1[C:40]2([CH2:45][CH2:44][NH:43][CH2:42][CH2:41]2)[CH2:39][N:38]1C(OC(C)(C)C)=O>CS(C)=O>[NH2:22][C:12]1[CH:13]=[CH:14][C:15]([C:17]2[S:18][CH:19]=[CH:20][CH:21]=2)=[CH:16][C:11]=1[NH:10][C:8](=[O:9])[C:5]1[CH:4]=[CH:3][C:2]([N:43]2[CH2:44][CH2:45][C:40]3([CH2:37][NH:38][CH2:39]3)[CH2:41][CH2:42]2)=[N:7][CH:6]=1 | 1 |
CC(CC(C)(C)C)(C)N.C(C(C)C)N(C1=C(C=C(C=C1)C1=C(C=CC=C1)C1=NN=NN1)N)CC(C)C>C1CCCO1.C(=O)(C=1NC=CN1)C=1NC=CN1>C(C(C)C)N(C1=C(C=C(C=C1)C1=C(C=CC=C1)C1=NN=NN1)NC(=O)NC(C)(CC(C)(C)C)C)CC(C)C | 3 |
BrCC(=O)Br.NC1=NC=CN=C1>ClCCl.C([O-])([O-])=O.[K+].[K+]>BrCC(=O)NC1=NC=CN=C1 | 3 |
O=C1NC2=C(OC1)C=CC(=N2)C=O.N[C@@H]1[C@@H](CC=2C=C(C=NC2C1)N1C2=C(N=CC1=O)C=CC(=N2)OC)O>>Cl.Cl.O[C@@H]1CC=2C=C(C=NC2C[C@@H]1NCC=1C=CC=2OCC(NC2N1)=O)N1C2=C(N=CC1=O)C=CC(=N2)OC | 5 |
C1(CC1)C1=NN=C(O1)C(=O)OCC>[Na+].[BH4-].CCO[H]>C1(CC1)C1=NN=C(O1)CO | 3 |
N(C(OC(C)C)=O)=NC(OC(C)C)=O.[C:15]([C:18]1[C:19](=[O:29])[O:20][C:21]2[C:26]([CH:27]=1)=[CH:25][CH:24]=[C:23]([OH:28])[CH:22]=2)(=[O:17])[CH3:16].O[CH2:31][CH2:32][NH:33][C:34](=[O:40])[O:35][C:36]([CH3:39])([CH3:38])[CH3:37].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C(N(CC)CC)C>C1COCC1>[C:15]([C:18]1[C:19](=[O:29])[O:20][C:21]2[C:26]([CH:27]=1)=[CH:25][CH:24]=[C:23]([O:28][CH2:31][CH2:32][NH:33][C:34](=[O:40])[O:35][C:36]([CH3:39])([CH3:38])[CH3:37])[CH:22]=2)(=[O:17])[CH3:16] | 2 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([Cl:8])=[CH:4][C:3]=1[C:9]([C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)=O.[CH:17]([C:20](=O)[CH2:21][C:22]([O:24][CH2:25][CH3:26])=[O:23])([CH3:19])[CH3:18]>>[CH2:25]([O:24][C:22]([C:21]1[C:20]([CH:17]([CH3:19])[CH3:18])=[N:1][C:2]2[C:3]([C:9]=1[C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)=[CH:4][C:5]([Cl:8])=[CH:6][CH:7]=2)=[O:23])[CH3:26] | 1 |
C1(=CC=CC=C1)C(C1=CC=CC=C1)=NC1=CC2=C(SC(=C2)C(C[C@@H](C(=O)OC)C)=O)C=C1OC>ClCCl.C(=O)(C(F)(F)F)O>NC1=CC2=C(SC(=C2)C(C[C@@H](C(=O)OC)C)=O)C=C1OC | 3 |
C(C=C)[Mg]Br.COC1=C(C=O)C(=C(C(=C1C)C)OC)C>C1CCCO1>COC1=C(C(=C(C(=C1C)C)OC)C)C(CC=C)O | 3 |
C(C)OC(=O)N=C=S.NC1=CC=C(C=N1)OC=1C=C(C=CC1)NC(=O)C1=NC=CC=C1C>>C(C)OC(NC(NC1=NC=C(C=C1)OC1=CC(=CC=C1)NC(=O)C1=NC=CC=C1C)=S)=O | 5 |
C(C)(=O)O[C@H]1C[C@H]([C@@H]([C@H]1CCCCCCC(=O)OC)CCC(C(CCCC)(F)F)O)OC1OCCCC1>CCO[H].[OH-].[Na+]>FC(C(CC[C@@H]1[C@H]([C@H](C[C@H]1OC1OCCCC1)O)CCCCCCC(=O)O)O)(CCCC)F | 3 |
OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12.N(=[N+]=[N-])CCOCCON>>N(=[N+]=[N-])C(C(O)=O)CCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 | 5 |
COC(C1=C(C=C(C=C1)OCC1=CC=CC=C1)O)=O>N(C)(C)C=O.[H-].[Na+]>C(C1=CC=CC=C1)OC1=CC(=C(C(=O)OC)C=C1)OC | 3 |
C(O[C:4]([CH:6]1[C:11](=O)[CH2:10][CH2:9][N:8]([CH2:13][C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[CH2:7]1)=[O:5])C.Cl.[N+:21]([C:24]1[CH:25]=[C:26]([CH:30]=[CH:31][CH:32]=1)[C:27]([NH2:29])=[NH:28])([O-:23])=[O:22]>>[CH2:13]([N:8]1[CH2:9][CH2:10][C:11]2[N:28]=[C:27]([C:26]3[CH:30]=[CH:31][CH:32]=[C:24]([N+:21]([O-:23])=[O:22])[CH:25]=3)[N:29]=[C:4]([OH:5])[C:6]=2[CH2:7]1)[C:14]1[CH:15]=[CH:16][CH:17]=[CH:18][CH:19]=1 | 1 |
Cl.[CH3:2][C:3]1([CH3:31])[CH2:7][CH:6]2[CH:8]([CH3:30])[C:9]([S:14]([NH:17][C:18](=[NH:29])[NH:19][CH2:20][CH2:21][CH2:22][C@@H:23]([C:25]([O:27][CH3:28])=[O:26])[NH2:24])(=[O:16])=[O:15])=[C:10]([CH3:13])[C:11]([CH3:12])=[C:5]2[O:4]1.C(N(CC)CC)C.[F:39][C:40]1[CH:50]=[CH:49][CH:48]=[CH:47][C:41]=1[CH:42]=[CH:43][C:44](O)=[O:45].CCN=C=NCCCN(C)C.Cl>C(Cl)Cl>[F:39][C:40]1[CH:50]=[CH:49][CH:48]=[CH:47][C:41]=1[CH:42]=[CH:43][C:44]([NH:24][C@H:23]([C:25]([O:27][CH3:28])=[O:26])[CH2:22][CH2:21][CH2:20][NH:19][C:18](=[NH:29])[NH:17][S:14]([C:9]1[CH:8]([CH3:30])[CH:6]2[CH2:7][C:3]([CH3:31])([CH3:2])[O:4][C:5]2=[C:11]([CH3:12])[C:10]=1[CH3:13])(=[O:15])=[O:16])=[O:45] | 1 |
NC=1C(=C(C=CC1)NC(=S)NC1=C(C=C(C=C1)Cl)Cl)NCC(CO)(F)F>>NC1=CC=CC2=C1N(C(=N2)NC2=C(C=C(C=C2)Cl)Cl)CC(CO)(F)F | 5 |
C[Si](C)(C)C#C.BrC=1C=CC2=C(OCCC3=C2SC(=C3)C(=O)N(C)C3=C(C=CC=C3)Cl)C1>[Cu]I.CCN(CC)CC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>ClC1=C(C=CC=C1)N(C(=O)C1=CC2=C(C3=C(OCC2)C=C(C=C3)C#C)S1)C | 3 |
ClC(C(=O)Cl)C.C(C1=CC=CC=C1)N[C@@H](CO)C>>C(C1=CC=CC=C1)N(C(C(C)Cl)=O)[C@@H](CO)C | 5 |
[O:1]1C=CC=[C:2]1[C:6]1[CH:11]=[CH:10][C:9]([C:12]([CH3:17])([CH3:16])[C:13]([NH2:15])=[O:14])=[CH:8][CH:7]=1.CC#N.C(Cl)(Cl)(Cl)Cl.[OH2:26]>C(OCC)(=O)C>[C:2]([C:6]1[CH:11]=[CH:10][C:9]([C:12]([CH3:17])([CH3:16])[C:13]([NH2:15])=[O:14])=[CH:8][CH:7]=1)([OH:1])=[O:26] | 1 |
FC1=C(C=CC=C1)C1=NC(=NC=C1C(=O)O)N1CCOCC1.C(C1=CC=CC=C1)NC1CCC1>>O1CCN(CC1)C1=NC=C(C=N1)C(=O)N | 5 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:39]=[C:40]([O:44][CH3:45])[C:41]=1[O:42][CH3:43])[C:6]([N:8]1[CH2:12][CH2:11][C:10]([CH2:21][CH2:22][N:23]2[CH2:28][CH2:27][CH:26]([NH:29][C:30]3[NH:34][C:33]4[CH:35]=[CH:36][CH:37]=[CH:38][C:32]=4[N:31]=3)[CH2:25][CH2:24]2)([C:13]2[CH:18]=[CH:17][C:16]([F:19])=[C:15]([F:20])[CH:14]=2)[CH2:9]1)=[O:7].[Cl:46][C:47]1[S:51][C:50]([CH2:52]Cl)=[CH:49][CH:48]=1>>[CH3:45][O:44][C:40]1[CH:39]=[C:5]([CH:4]=[C:3]([O:2][CH3:1])[C:41]=1[O:42][CH3:43])[C:6]([N:8]1[CH2:12][CH2:11][C:10]([CH2:21][CH2:22][N:23]2[CH2:28][CH2:27][CH:26]([NH:29][C:30]3[N:31]([CH2:52][C:50]4[S:51][C:47]([Cl:46])=[CH:48][CH:49]=4)[C:32]4[CH:38]=[CH:37][CH:36]=[CH:35][C:33]=4[N:34]=3)[CH2:25][CH2:24]2)([C:13]2[CH:18]=[CH:17][C:16]([F:19])=[C:15]([F:20])[CH:14]=2)[CH2:9]1)=[O:7] | 1 |
[C:1]([O:5][C@@H:6]([C:10]1[C:19]([CH3:20])=[CH:18][C:17]2[C:12](=[CH:13][CH:14]=[C:15]([C:21]3[CH:26]=CC=[CH:23][N:22]=3)[CH:16]=2)[C:11]=1[C:27]1[CH:32]=[CH:31][C:30]([Cl:33])=[CH:29][CH:28]=1)[C:7]([OH:9])=[O:8])([CH3:4])([CH3:3])[CH3:2].C([Sn](CCCC)(CCCC)[C:39]1C=CC=C[N:40]=1)CCC>>[C:1]([O:5][C@@H:6]([C:10]1[C:19]([CH3:20])=[CH:18][C:17]2[C:12](=[CH:13][CH:14]=[C:15]([C:21]3[N:22]([CH3:23])[CH:39]=[N:40][CH:26]=3)[CH:16]=2)[C:11]=1[C:27]1[CH:32]=[CH:31][C:30]([Cl:33])=[CH:29][CH:28]=1)[C:7]([OH:9])=[O:8])([CH3:2])([CH3:3])[CH3:4] | 1 |
C(C)(C)(C)OC(=O)N(C1=C(C=C(C(=O)OC)C=C1)OC)CC#C>ClCCl.C(=O)(C(F)(F)F)O.C(O)([O-])=O.[Na+]>COC=1C=C(C(=O)[O-])C=CC1NCC#C | 4 |
OC=1C=CC(=C2CCC(C12)=NO)C>CCO[H].Cl.[HH].C(C)(=O)O.[Pt](=O)=O>Cl.NC1CCC2=C(C=CC(=C12)O)C | 3 |
N[C@@H](CO)C(=O)O.C(CCC)(=O)Cl>>C(CCC)(=O)OC[C@H](N)C(=O)O | 5 |
NC(CO)(CO)C.ClC1=C(C=C(S1)S(=O)(=O)Cl)[N+](=O)[O-]>>OCC(C)(CO)NS(=O)(=O)C=1SC(=C(C1)[N+](=O)[O-])Cl | 5 |
[F:1][C:2]1[C:22]([O:23][CH2:24][CH2:25][CH2:26][N:27]2[CH2:32][CH2:31][CH2:30][CH2:29][CH2:28]2)=[CH:21][C:5]2[NH:6][C:7]([C:9]3[C:13]([NH2:14])=[CH:12][N:11]([CH:15]4[CH2:20][CH2:19][CH2:18][CH2:17][O:16]4)[N:10]=3)=[N:8][C:4]=2[CH:3]=1.[CH2:33]([N:35]([CH2:39][CH3:40])[C:36](Cl)=[O:37])[CH3:34].C(N(CC)C(C)C)(C)C>O1CCCC1>[CH2:33]([N:35]([CH2:39][CH3:40])[C:36]([NH:14][C:13]1[C:9]([C:7]2[NH:6][C:5]3[CH:21]=[C:22]([O:23][CH2:24][CH2:25][CH2:26][N:27]4[CH2:32][CH2:31][CH2:30][CH2:29][CH2:28]4)[C:2]([F:1])=[CH:3][C:4]=3[N:8]=2)=[N:10][N:11]([CH:15]2[CH2:20][CH2:19][CH2:18][CH2:17][O:16]2)[CH:12]=1)=[O:37])[CH3:34] | 1 |
COC1=NC=CC=C1[N+](=O)[O-].ClC1=CC=C(OCC#N)C=C1>>COC1=NC=CC(=C1[N+](=O)[O-])CC#N | 5 |
C(C1=CC=CC=C1)N(C)C[C@@H](CCC1=CC=CC=C1)NC=1N=CC(=NC1)/C=C/C(=O)NOC1OCCCC1>CCO[H].Cl>C(C1=CC=CC=C1)N(C)C[C@@H](CCC1=CC=CC=C1)NC=1N=CC(=NC1)/C=C/C(=O)NO | 3 |
F[C:2]1[CH:7]=[CH:6][C:5]([N+:8]([O-:10])=[O:9])=[CH:4][C:3]=1[CH3:11].CN1CCCC1=[O:18].[NH2:19][CH2:20][CH2:21][O:22][CH:23](O)[CH3:24].C([O-])([O-])=O.[K+].[K+]>O>[N+:8]([C:5]1[CH:6]=[CH:7][C:2]([NH:19][CH2:20][CH2:21][O:22][CH2:23][CH2:24][OH:18])=[C:3]([CH3:11])[CH:4]=1)([O-:10])=[O:9] | 1 |
NC(CC(=O)OCCC)C1=CC=CC=C1>>N[C@@H](CC(=O)O)C1=CC=CC=C1 | 5 |
ClC1=CC=NC2=CC=CC=C12>[I-].[Na+].C(O)([O-])=O.[Na+].C(C)C(=O)C.I>IC1=CC=NC2=CC=CC=C12 | 3 |
[N+:1]([C:4]1[CH:5]=[CH:6][C:7]([C:23]([N:25]2[CH2:30][CH2:29][CH2:28][CH2:27][CH2:26]2)=[O:24])=[C:8]([NH:10][S:11]([C:14]2[C:19]3=[N:20][S:21][N:22]=[C:18]3[CH:17]=[CH:16][CH:15]=2)(=[O:13])=[O:12])[CH:9]=1)([O-])=O.O>CCOC(C)=O.C(Cl)Cl.Cl[Sn]Cl>[NH2:1][C:4]1[CH:5]=[CH:6][C:7]([C:23]([N:25]2[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]2)=[O:24])=[C:8]([NH:10][S:11]([C:14]2[C:19]3=[N:20][S:21][N:22]=[C:18]3[CH:17]=[CH:16][CH:15]=2)(=[O:13])=[O:12])[CH:9]=1 | 1 |
C(CS)(=O)OCC.ClC1=C(C=CC(=C1)Cl)C(C#N)=NOS(=O)(=O)C1=CC=C(C=C1)C>CCN(CC)CC.CCO[H]>NC=1C(=NSC1C(=O)OCC)C1=C(C=C(C=C1)Cl)Cl | 3 |
[OH-].[Na+].[F:3][C:4]1[CH:9]=[C:8]([Cl:10])[C:7]([O:11][CH:12]2[CH2:16][CH2:15][CH2:14][CH2:13]2)=[CH:6][C:5]=1[NH:17]C(=O)OC>C(O)C>[F:3][C:4]1[CH:9]=[C:8]([Cl:10])[C:7]([O:11][CH:12]2[CH2:16][CH2:15][CH2:14][CH2:13]2)=[CH:6][C:5]=1[NH2:17] | 1 |
ClC1=NC=C(C(=N1)Cl)Cl.Cl.NC=1C=C(CNC(C2=CC(=CC=C2)[N+](=O)[O-])=O)C=CC1>>ClC1=NC=C(C(=N1)NC=1C=C(CNC(C2=CC(=CC=C2)[N+](=O)[O-])=O)C=CC1)Cl | 5 |
Cl[C:2]1[C:3]2[N:10]=[N:9][N:8]([CH2:11][C:12]3[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=3[F:18])[C:4]=2[N:5]=[CH:6][N:7]=1.C(O)C.[CH3:22][NH2:23]>C1(C)C=CC=CC=1>[F:18][C:13]1[CH:14]=[CH:15][CH:16]=[CH:17][C:12]=1[CH2:11][N:8]1[C:4]2[N:5]=[CH:6][N:7]=[C:2]([NH:23][CH3:22])[C:3]=2[N:10]=[N:9]1 | 1 |
[CH2:1]1[C:9]2[C:4](=[CH:5][C:6]([CH:10]([OH:31])[CH2:11][CH2:12][N:13]3[CH2:18][CH2:17][CH:16]([C:19]4[CH:20]=[C:21]([NH:25][C:26](=[O:30])[CH:27]([CH3:29])[CH3:28])[CH:22]=[CH:23][CH:24]=4)[CH2:15][CH2:14]3)=[CH:7][CH:8]=2)[CH2:3][CH2:2]1.[C:32]([C:35]1[CH:36]=[C:37](O)[CH:38]=[CH:39][CH:40]=1)(=[O:34])[CH3:33]>>[C:32]([C:35]1[CH:40]=[C:39]([CH:38]=[CH:37][CH:36]=1)[O:31][CH:10]([C:6]1[CH:5]=[C:4]2[C:9](=[CH:8][CH:7]=1)[CH2:1][CH2:2][CH2:3]2)[CH2:11][CH2:12][N:13]1[CH2:14][CH2:15][CH:16]([C:19]2[CH:20]=[C:21]([NH:25][C:26](=[O:30])[CH:27]([CH3:28])[CH3:29])[CH:22]=[CH:23][CH:24]=2)[CH2:17][CH2:18]1)(=[O:34])[CH3:33] | 1 |
[F:1][C:2]1[CH:3]=[C:4]2[C:9](=[N:10][CH:11]=1)[NH:8][C:7](=[O:12])[C:6]([C:13]#[N:14])=[C:5]2[N:15]1[CH2:20][CH2:19][N:18]([C:21]([C:23]2[S:24][CH:25]=[CH:26][CH:27]=2)=[O:22])[CH2:17][CH2:16]1.Br[CH2:29][C:30]([C:32]1[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=1)=[O:31]>>[F:1][C:2]1[CH:3]=[C:4]2[C:9](=[N:10][CH:11]=1)[N:8]([CH2:29][C:30](=[O:31])[C:32]1[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=1)[C:7](=[O:12])[C:6]([C:13]#[N:14])=[C:5]2[N:15]1[CH2:20][CH2:19][N:18]([C:21]([C:23]2[S:24][CH:25]=[CH:26][CH:27]=2)=[O:22])[CH2:17][CH2:16]1 | 1 |
[F:1][C:2]([F:24])([F:23])[C:3]1[CH:4]=[C:5]([C:13]2[N:17]=[CH:16][N:15](/[CH:18]=[CH:19]\[C:20]([OH:22])=O)[N:14]=2)[CH:6]=[C:7]([C:9]([F:12])([F:11])[F:10])[CH:8]=1.[N:25]1[CH:30]=[CH:29][N:28]=[CH:27][C:26]=1[CH2:31][C:32]([NH:34][NH2:35])=[O:33].C(P1(=O)OP(CCC)(=O)OP(CCC)(=O)O1)CC.CCN(C(C)C)C(C)C>CCOC(C)=O.C1COCC1>[F:10][C:9]([F:11])([F:12])[C:7]1[CH:6]=[C:5]([C:13]2[N:17]=[CH:16][N:15](/[CH:18]=[CH:19]\[C:20]([N:34]([C:32](=[O:33])[CH2:31][C:26]3[CH:27]=[N:28][CH:29]=[CH:30][N:25]=3)[NH2:35])=[O:22])[N:14]=2)[CH:4]=[C:3]([C:2]([F:24])([F:1])[F:23])[CH:8]=1 | 1 |
Cl[C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[N:5]=[C:4]([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)[CH:3]=1.[SH:18][CH2:19][CH2:20][C:21]([OH:23])=[O:22].C1(C2C=C(SCC(O)=O)C3C(=CC=CC=3)N=2)C=CC=CC=1>N1C=CC=CC=1>[C:12]1([C:4]2[CH:3]=[C:2]([S:18][CH2:19][CH2:20][C:21]([OH:23])=[O:22])[C:11]3[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=3)[N:5]=2)[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1 | 1 |
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