smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C1(CCCC1)NC(=O)C1C(NCCC1)=O>>C1(CCCC1)NC(=O)C1(C(NCCC1)=O)CO | 5 |
F[C:2]1[CH:11]=[C:10]([C:12]2[N:17]=[C:16]3[N:18]([CH2:21][C:22]4[CH:23]=[C:24]5[C:29](=[CH:30][CH:31]=4)[N:28]=[CH:27][CH:26]=[CH:25]5)[N:19]=[N:20][C:15]3=[CH:14][CH:13]=2)[CH:9]=[CH:8][C:3]=1C(NC)=O.[CH3:32][N:33](C)[C:34]1C=C(B(O)O)C=CC=1.C(=O)([O-])[O-].[K+].[K+].O1CCOCC1>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.O>[CH3:32][N:33]([CH3:34])[C:2]1[CH:3]=[CH:8][CH:9]=[C:10]([C:12]2[N:17]=[C:16]3[N:18]([CH2:21][C:22]4[CH:23]=[C:24]5[C:29](=[CH:30][CH:31]=4)[N:28]=[CH:27][CH:26]=[CH:25]5)[N:19]=[N:20][C:15]3=[CH:14][CH:13]=2)[CH:11]=1 | 2 |
[NH2:1][C:2]1[N:7]=[C:6](S(C)(=O)=O)[C:5]([C:12]2[CH:13]=[CH:14][C:15](=[O:21])[N:16]([CH:18]([CH3:20])[CH3:19])[N:17]=2)=[C:4]([C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)[N:3]=1.C(=O)(O)O.[NH2:32][C:33]([NH2:35])=[NH:34].O>CN(C)C(=O)C>[NH2:1][C:2]1[N:7]=[C:6]([NH:34][C:33]([NH2:35])=[NH:32])[C:5]([C:12]2[CH:13]=[CH:14][C:15](=[O:21])[N:16]([CH:18]([CH3:20])[CH3:19])[N:17]=2)=[C:4]([C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)[N:3]=1 | 2 |
FC(CCC(C#N)C#N)(F)F.ClCN1C=C(C(=C1)C(F)(F)F)C#N>>C(#N)C1=CN(C=C1C(F)(F)F)CC(C#N)(C#N)CCC(F)(F)F | 5 |
ClC1=CC=C(C=C1)[Mg]Br.C1(=CC=CC=C1)C(C1=CC=CC=C1)N1CC(C1)C#N>C(C)OCC.ClC1=CC=CC=C1>C(C1=CC=CC=C1)(C1=CC=CC=C1)N1CC(C1)C(=O)C1=CC=C(C=C1)Cl | 3 |
C(OC(=O)N(C1CNC1)C[C@H](O)COC1C=CC(O)=CC=1)(C)(C)C.C(N(CC)CC)C.[CH2:32]([O:36][C:37]1[CH:42]=[CH:41][C:40]([S:43](Cl)(=[O:45])=[O:44])=[CH:39][CH:38]=1)[CH2:33][CH2:34][CH3:35].[C:47]([O:51][C:52](=[O:84])[N:53]([CH:66]1[CH2:69][N:68]([S:70]([C:73]2[CH:78]=[CH:77][C:76]([O:79][CH2:80][CH2:81][CH2:82][CH3:83])=[CH:75][CH:74]=2)(=[O:72])=[O:71])[CH2:67]1)[CH2:54][C@H:55]([OH:65])[CH2:56][O:57][C:58]1[CH:63]=[CH:62][C:61]([OH:64])=[CH:60][CH:59]=1)([CH3:50])([CH3:49])[CH3:48].C(OC1C=CC(S(O)(=O)=O)=CC=1)CCC>C(Cl)(Cl)Cl>[CH2:80]([O:79][C:76]1[CH:77]=[CH:78][C:73]([S:70]([N:68]2[CH2:69][CH:66]([N:53]([C:52]([O:51][C:47]([CH3:50])([CH3:49])[CH3:48])=[O:84])[CH2:54][CH:55]([OH:65])[CH2:56][O:57][C:58]3[CH:59]=[CH:60][C:61]([O:64][S:43]([C:40]4[CH:39]=[CH:38][C:37]([O:36][CH2:32][CH2:33][CH2:34][CH3:35])=[CH:42][CH:41]=4)(=[O:45])=[O:44])=[CH:62][CH:63]=3)[CH2:67]2)(=[O:72])=[O:71])=[CH:74][CH:75]=1)[CH2:81][CH2:82][CH3:83] | 1 |
FC=1C=C2C(=CC=3N(C2=CC1)C(=NN3)C)C3=C(C=CC=C3)Cl>I(=O)(=O)(=O)[O-].[Na+].[Ru](=O)=O>FC=1C=CC(=C(C(=O)C2=C(C=CC=C2)Cl)C1)N1C(=NN=C1)C | 3 |
CC1(C(CCC1C)CCCC(=O)OCC)C>C1CCCO1>CC1(C(CCC1C)CCCC(=O)O)C | 3 |
[Cl:1][C:2]1[C:8]2[CH:9]=[CH:10][CH:11]=[CH:12][C:7]=2[S:6][C:5]2[CH:13]=[CH:14][C:15]([C:17](Cl)=[O:18])=[CH:16][C:4]=2[N:3]=1.[CH2:20]([NH2:24])[CH:21]([CH3:23])[CH3:22]>C(Cl)Cl.[NH4+].[Cl-]>[CH2:20]([NH:24][C:17]([C:15]1[CH:14]=[CH:13][C:5]2[S:6][C:7]3[CH:12]=[CH:11][CH:10]=[CH:9][C:8]=3[C:2]([Cl:1])=[N:3][C:4]=2[CH:16]=1)=[O:18])[CH:21]([CH3:23])[CH3:22] | 2 |
C=CC1=CC=CC=C1>>Cl[Si](C(C)C1=CC=CC=C1)(Cl)Cl | 5 |
C[S-].[Na+].O1CCC(CC1)CNC(=O)C1=NC(=CC=C1NC(=O)C1=CC=C(C2=CC=CC=C12)C)Cl>>O1CCC(CC1)CNC(=O)C1=NC(=CC=C1NC(=O)C1=CC=C(C2=CC=CC=C12)C)SC | 5 |
[Si]([O:8][CH2:9][C@@H:10]1[C@@H:14]([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)[CH2:13][N:12]([C:21]([O:23][C:24]2[CH:29]=[CH:28][C:27]([C:30]([O:32][CH3:33])=[O:31])=[CH:26][CH:25]=2)=[O:22])[CH2:11]1)(C(C)(C)C)(C)C.CCCC[N+](CCCC)(CCCC)CCCC.[F-]>C1COCC1>[OH:8][CH2:9][C@@H:10]1[C@@H:14]([C:15]2[CH:16]=[CH:17][CH:18]=[CH:19][CH:20]=2)[CH2:13][N:12]([C:21]([O:23][C:24]2[CH:25]=[CH:26][C:27]([C:30]([O:32][CH3:33])=[O:31])=[CH:28][CH:29]=2)=[O:22])[CH2:11]1 | 1 |
CC1C=C(N2CCN(CCOC3C=CC=CC=3)C2=O)SC=1C(O)=O.[F:25][C:26]1[CH:47]=[CH:46][C:29]([CH2:30][N:31]2[CH2:35][CH2:34][N:33]([C:36]3[S:40][C:39]([C:41](O)=[O:42])=[C:38]([CH3:44])[CH:37]=3)[C:32]2=[O:45])=[CH:28][CH:27]=1.[CH3:48][N:49]1[C:53]([CH2:54][NH2:55])=[CH:52][N:51]=[CH:50]1>>[F:25][C:26]1[CH:47]=[CH:46][C:29]([CH2:30][N:31]2[CH2:35][CH2:34][N:33]([C:36]3[S:40][C:39]([C:41]([NH:55][CH2:54][C:53]4[N:49]([CH3:48])[CH:50]=[N:51][CH:52]=4)=[O:42])=[C:38]([CH3:44])[CH:37]=3)[C:32]2=[O:45])=[CH:28][CH:27]=1 | 1 |
C(C)(C)(C)OC(=O)N1CCN(CCN(CCN(CC1)CC(=O)N(CCCNC(=O)OCC1=CC=CC=C1)CC(=O)OCC)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C>C1CCCO1.[HH].[Pd]>C(C)(C)(C)OC(=O)N1CCN(CCN(CCN(CC1)CC(=O)N(CC(=O)OCC)CCCN)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C | 3 |
Cl[C:2]1[N:3]=[C:4]([N:11]2[CH2:16][CH2:15][O:14][CH2:13][CH2:12]2)[C:5]2[CH:10]=[CH:9][NH:8][C:6]=2[N:7]=1.[OH:17][CH2:18][C:19]1[CH:20]=[C:21](B(O)O)[CH:22]=[CH:23][CH:24]=1.C(=O)(O)[O-].[Na+]>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.COCCOC>[N:11]1([C:4]2[C:5]3[CH:10]=[CH:9][NH:8][C:6]=3[N:7]=[C:2]([C:23]3[CH:24]=[C:19]([CH2:18][OH:17])[CH:20]=[CH:21][CH:22]=3)[N:3]=2)[CH2:16][CH2:15][O:14][CH2:13][CH2:12]1 | 2 |
[CH3:1][O:2][C:3](=[O:23])[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][O:9][C:10]1[CH:15]=[CH:14][C:13]([C:16](=[O:18])[CH3:17])=[C:12]([OH:19])[C:11]=1[CH2:20][CH2:21][CH3:22].[S:24]([O:28][CH2:29][CH2:30][O:31][CH2:32][CH2:33]OS(=O)(=O)C)(=[O:27])(=[O:26])[CH3:25].C(=O)([O-])[O-].[K+].[K+]>CC(C)=O.CN(C)C=O>[CH3:1][O:2][C:3](=[O:23])[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][O:9][C:10]1[CH:15]=[CH:14][C:13]([C:16](=[O:18])[CH3:17])=[C:12]([O:19][CH2:33][CH2:32][O:31][CH2:30][CH2:29][O:28][S:24]([CH3:25])(=[O:27])=[O:26])[C:11]=1[CH2:20][CH2:21][CH3:22] | 1 |
[CH:1]1([CH2:4][O:5][C:6]2[CH:11]=[CH:10][C:9]([O:12][CH3:13])=[CH:8][C:7]=2[C:14]2[C:15]3[N:22]([CH2:23][O:24][CH2:25][CH2:26][Si:27]([CH3:30])([CH3:29])[CH3:28])[C:21]([CH3:31])=[C:20]([C:32]([OH:34])=O)[C:16]=3[N:17]=[CH:18][N:19]=2)[CH2:3][CH2:2]1.[NH2:35][C@@H:36]1[CH2:41][CH2:40][C@H:39]([NH:42][C:43](=[O:49])[O:44][C:45]([CH3:48])([CH3:47])[CH3:46])[CH2:38][CH2:37]1>>[C:45]([O:44][C:43](=[O:49])[NH:42][C@H:39]1[CH2:38][CH2:37][C@@H:36]([NH:35][C:32]([C:20]2[C:16]3[N:17]=[CH:18][N:19]=[C:14]([C:7]4[CH:8]=[C:9]([O:12][CH3:13])[CH:10]=[CH:11][C:6]=4[O:5][CH2:4][CH:1]4[CH2:2][CH2:3]4)[C:15]=3[N:22]([CH2:23][O:24][CH2:25][CH2:26][Si:27]([CH3:28])([CH3:29])[CH3:30])[C:21]=2[CH3:31])=[O:34])[CH2:41][CH2:40]1)([CH3:48])([CH3:46])[CH3:47] | 1 |
N1CCC(CC1)NC(OC(C)(C)C)=O.FC(COS(=O)(=O)C(F)(F)F)(F)F>>C(C)(C)(C)OC(NC1CCN(CC1)CC(F)(F)F)=O | 5 |
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.Cl.FC(O[C@H]1CNCC1)(F)F>C1CCCO1.C(C)(C)N(C(C)C)CC>CC1=C(C=C(C=C1)NC(=O)N1C[C@@H](CC1)OC(F)(F)F)B1OC(C(O1)(C)C)(C)C | 3 |
ClS(=O)(=O)O.FC[C@@H](C)C1=CC=CC=C1>ClCCl>FC[C@@H](C)C1=CC=C(C=C1)S(=O)(=O)Cl | 3 |
C(C1=CC=CC=C1)OC1=C(OCC=2N=CN(C2)C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=CC=C1>>C(C1=CC=CC=C1)OC1=C(OCC=2N=CNC2)C=CC=C1 | 5 |
[OH:1][C:2]1[CH:6]([CH:7]([CH3:9])[CH3:8])[NH:5][C:4](=[O:10])[CH:3]=1.[CH:11](=O)[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1.[F:19][C:20]1[CH:21]=[C:22]2[C:26](=[CH:27][CH:28]=1)[NH:25][CH:24]=[C:23]2[CH:29]([CH3:31])[CH3:30]>>[F:19][C:20]1[CH:21]=[C:22]2[C:26](=[CH:27][CH:28]=1)[NH:25][C:24]([CH:11]([C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1)[C:3]1[C:4](=[O:10])[NH:5][CH:6]([CH:7]([CH3:9])[CH3:8])[C:2]=1[OH:1])=[C:23]2[CH:29]([CH3:31])[CH3:30] | 1 |
[F:1][C:2]1[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[CH:4][C:3]=1[OH:10].C(N(C(C)C)CC)(C)C.[CH3:20][O:21][CH2:22]Cl.O>ClCCl>[F:1][C:2]1[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[CH:4][C:3]=1[O:10][CH2:20][O:21][CH3:22] | 1 |
[NH2:1][C:2]1[C:3]2[C:10]([C:11]3[CH:16]=[CH:15][C:14]([O:17][C:18]4[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=4)=[CH:13][CH:12]=3)=[CH:9][NH:8][C:4]=2[N:5]=[CH:6][N:7]=1.[H-].[Na+].Br[CH:27]1[CH2:32][CH2:31][O:30][C:28]1=[O:29]>CN(C)C=O>[NH2:1][C:2]1[C:3]2[C:10]([C:11]3[CH:12]=[CH:13][C:14]([O:17][C:18]4[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=4)=[CH:15][CH:16]=3)=[CH:9][N:8]([CH:27]3[CH2:32][CH2:31][O:30][C:28]3=[O:29])[C:4]=2[N:5]=[CH:6][N:7]=1 | 1 |
C(C)OC(=O)C1=NNC(=C1)C(C)(C)C.N1=CC=CC2=CC(=CC=C12)B(O)O>>C(C)(C)(C)C1=NN(C(=C1)C(=O)OCC)C=1C=C2C=CC=NC2=CC1 | 5 |
[CH3:1][CH:2]1[CH2:7][CH2:6][CH2:5][NH:4][CH2:3]1.C(N(C(C)C)CC)(C)C.[ClH:17].[N:18]1(C(=N)N)[CH:22]=[N:21]C=N1.CCOCC>CN(C)C=O>[ClH:17].[CH3:1][CH:2]1[CH2:7][CH2:6][CH2:5][N:4]([C:22](=[NH:18])[NH2:21])[CH2:3]1 | 1 |
[CH:1]1([N:7]2[CH2:13][C:12]([F:15])([F:14])[C:11](=[O:16])[N:10]([CH3:17])[C:9]3[CH:18]=[N:19][C:20]([NH:22][C:23]4[CH:31]=[CH:30][C:26]([C:27]([OH:29])=O)=[CH:25][C:24]=4[O:32][CH3:33])=[N:21][C:8]2=3)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[CH3:58][N:59]([CH3:61])[NH2:60]>>[CH:1]1([N:7]2[CH2:13][C:12]([F:15])([F:14])[C:11](=[O:16])[N:10]([CH3:17])[C:9]3[CH:18]=[N:19][C:20]([NH:22][C:23]4[CH:31]=[CH:30][C:26]([C:27]([NH:60][N:59]([CH3:61])[CH3:58])=[O:29])=[CH:25][C:24]=4[O:32][CH3:33])=[N:21][C:8]2=3)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1 | 1 |
ClC=1C=C(C=CC1F)C(C[N+](=O)[O-])C(C(=O)OCC)C(=O)OCC>[Na+].[BH4-].CCO[H].C(C)(=O)OCC.[Cl-].[NH4+].O.O.O.O.C(C)(=O)[O-].[Ni+2].C(C)(=O)[O-]>ClC=1C=C(C=CC1F)C1C(C(NC1)=O)C(=O)OCC | 3 |
C(C=C)(=O)OCC.ClC=1C=C2C(N(C(=NC2=CC1)C)C1=CC=CC=C1)=O>>CC1=NC2=CC=C(C=C2C(N1C1=CC=CC=C1)=O)/C=C/C(=O)OCC | 5 |
II.C(Cl)Cl.[NH:6]1[CH:10]=[CH:9]N=[CH:7]1.[I:11][C:12]1[CH:17]=[CH:16][C:15]([C@H:18]([N:20]2[C:24]([C:25]([OH:27])=O)=[CH:23][N:22]=[CH:21]2)[CH3:19])=[CH:14][CH:13]=1.C(NC)C>C(Cl)(Cl)Cl>[CH2:10]([N:6]([CH3:7])[C:25]([C:24]1[N:20]([C@@H:18]([C:15]2[CH:14]=[CH:13][C:12]([I:11])=[CH:17][CH:16]=2)[CH3:19])[CH:21]=[N:22][CH:23]=1)=[O:27])[CH3:9] | 2 |
[OH:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][CH:9]=1)[CH:5]=O.[N:10]1[C:20]2[C:15](=[CH:16][CH:17]=[CH:18][CH:19]=2)[CH:14]=[CH:13][C:11]=1[CH3:12].[C:21](OC(=O)C)(=[O:23])[CH3:22]>>[C:21]([O:1][C:2]1[CH:3]=[C:4]([CH:5]=[CH:12][C:11]2[CH:13]=[CH:14][C:15]3[C:20](=[CH:19][CH:18]=[CH:17][CH:16]=3)[N:10]=2)[CH:7]=[CH:8][CH:9]=1)(=[O:23])[CH3:22] | 1 |
Cl[CH2:2][C:3]([C:5]1[CH:6]=[C:7]2[C:12](=[CH:13][CH:14]=1)[CH2:11][CH2:10][CH2:9][CH2:8]2)=[O:4].[C:15]([NH:23][CH:24]1[CH2:29][CH2:28][NH:27][CH2:26][CH2:25]1)(=[O:22])[C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1.C(N(CC)CC)C.Cl>CN(C)C=O>[CH2:11]1[C:12]2[C:7](=[CH:6][C:5]([C:3](=[O:4])[CH2:2][N:27]3[CH2:28][CH2:29][CH:24]([NH:23][C:15](=[O:22])[C:16]4[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=4)[CH2:25][CH2:26]3)=[CH:14][CH:13]=2)[CH2:8][CH2:9][CH2:10]1 | 1 |
[C:1]([O:4][C@H:5]([C@@H:7]1[C@:24]2([CH3:25])[C@H:10]([C@H:11]3[C@H:21]([CH2:22][CH2:23]2)[C@:19]2([CH3:20])[C:14]([CH2:15][C@@H:16]([OH:26])[CH2:17][CH2:18]2)=[CH:13][CH2:12]3)[CH2:9][CH2:8]1)[CH3:6])(=[O:3])[CH3:2].O.O.O.O.C(C(C(C([O-])=O)O)O)([O-])=O.[Na+].[K+]>C1(C)C=CC=CC=1.CC(=O)CC.O>[C:1]([O:4][C@H:5]([C@@H:7]1[C@:24]2([CH3:25])[C@H:10]([C@H:11]3[C@H:21]([CH2:22][CH2:23]2)[C@:19]2([CH3:20])[C:14](=[CH:15][C:16](=[O:26])[CH2:17][CH2:18]2)[CH2:13][CH2:12]3)[CH2:9][CH2:8]1)[CH3:6])(=[O:3])[CH3:2] | 1 |
[H-].[Na+].[CH2:3]([NH:12][C:13]1[C:21]2[C:16](=[CH:17][C:18]([Cl:23])=[CH:19][C:20]=2[Cl:22])[N:15]([C:24]([O:26][C:27]([CH3:30])([CH3:29])[CH3:28])=[O:25])[C:14]=1[C:31]([O:33][CH2:34][CH3:35])=[O:32])[C:4]([C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1)=[O:5].[CH2:36](Br)[C:37]1[CH:42]=[CH:41][CH:40]=[CH:39][CH:38]=1.Cl>CN(C)C=O>[CH2:3]([N:12]([CH2:36][C:37]1[CH:42]=[CH:41][CH:40]=[CH:39][CH:38]=1)[C:13]1[C:21]2[C:16](=[CH:17][C:18]([Cl:23])=[CH:19][C:20]=2[Cl:22])[N:15]([C:24]([O:26][C:27]([CH3:30])([CH3:29])[CH3:28])=[O:25])[C:14]=1[C:31]([O:33][CH2:34][CH3:35])=[O:32])[C:4]([C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1)=[O:5] | 1 |
C[CH:2]1[NH:7][CH:6](C)[CH2:5][N:4]([C:9]2[CH:14]=[CH:13][C:12]([C:15]3[N:20]=[C:19]4[N:21]([C:26]5[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=5)[N:22]=[C:23]([CH2:24][CH3:25])[C:18]4=[C:17]([O:32][CH3:33])[CH:16]=3)=[CH:11][CH:10]=2)[CH2:3]1.[C:34](OC(N1CCNCC1)=O)(C)(C)C.Cl>>[CH2:33]([O:32][C:17]1[CH:16]=[C:15]([C:12]2[CH:13]=[CH:14][C:9]([N:4]3[CH2:3][CH2:2][NH:7][CH2:6][CH2:5]3)=[CH:10][CH:11]=2)[N:20]=[C:19]2[N:21]([C:26]3[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=3)[N:22]=[C:23]([CH2:24][CH3:25])[C:18]=12)[CH3:34] | 1 |
F[C:2]1[CH:11]=[CH:10][C:5]([C:6]([O:8][CH3:9])=[O:7])=[CH:4][C:3]=1[N+:12]([O-:14])=[O:13].[Cl:15][C:16]1[CH:21]=[CH:20][C:19]([CH2:22][NH2:23])=[CH:18][CH:17]=1.CCN(C(C)C)C(C)C>C1COCC1>[Cl:15][C:16]1[CH:21]=[CH:20][C:19]([CH2:22][NH:23][C:2]2[CH:11]=[CH:10][C:5]([C:6]([O:8][CH3:9])=[O:7])=[CH:4][C:3]=2[N+:12]([O-:14])=[O:13])=[CH:18][CH:17]=1 | 2 |
[O:1]1[CH:6]2[CH2:7][NH:8][CH2:9][CH:5]2[O:4][CH2:3][CH2:2]1.[C:10]([C:12]1[CH:13]=[C:14]([NH:19][C:20]2[C:29]3[C:24](=[CH:25][C:26]([O:35][CH3:36])=[C:27]([O:30][CH2:31][CH2:32][CH2:33]Cl)[CH:28]=3)[N:23]=[CH:22][N:21]=2)[CH:15]=[CH:16][C:17]=1[F:18])#[CH:11].C([O-])([O-])=O.[K+].[K+]>[I-].C([N+](CCCC)(CCCC)CCCC)CCC.CN(C=O)C>[C:10]([C:12]1[CH:13]=[C:14]([NH:19][C:20]2[C:29]3[C:24](=[CH:25][C:26]([O:35][CH3:36])=[C:27]([O:30][CH2:31][CH2:32][CH2:33][N:8]4[CH2:7][CH:6]5[O:1][CH2:2][CH2:3][O:4][CH:5]5[CH2:9]4)[CH:28]=3)[N:23]=[CH:22][N:21]=2)[CH:15]=[CH:16][C:17]=1[F:18])#[CH:11] | 1 |
C(=O)=O.ClS(=O)(=O)N=C=O.ClC=1C=C(C=CC1Cl)O>C1(=CC=CC=C1)C.O>ClC=1C=C(C=CC1Cl)OS(N)(=O)=O | 3 |
[CH2:1]([NH:4][C:5]1[S:6][C:7]2[CH:13]=[C:12]([O:14][C:15]([F:18])([F:17])[F:16])[CH:11]=[CH:10][C:8]=2[N:9]=1)[C:2]#[CH:3].Br[CH2:20][C:21]([C:23]1[CH:28]=[CH:27][C:26]([CH3:29])=[CH:25][CH:24]=1)=[O:22]>C(#N)C>[CH2:1]([N:4]=[C:5]1[N:9]([CH2:20][C:21]([C:23]2[CH:28]=[CH:27][C:26]([CH3:29])=[CH:25][CH:24]=2)=[O:22])[C:8]2[CH:10]=[CH:11][C:12]([O:14][C:15]([F:18])([F:17])[F:16])=[CH:13][C:7]=2[S:6]1)[C:2]#[CH:3] | 2 |
[NH2:1][C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][C:10]=1[CH3:11])[C:5]([OH:7])=O.[CH:12]1([NH2:15])[CH2:14][CH2:13]1>>[NH2:1][C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][C:10]=1[CH3:11])[C:5]([NH:15][CH:12]1[CH2:14][CH2:13]1)=[O:7] | 2 |
Br.[Br:2][CH:3]([C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)[C:4]1[CH:5]=[CH:6][C:7]2[N:11]=[N:10][N:9]([CH3:12])[C:8]=2[CH:13]=1.[N:20]1[N:21]=[CH:22][N:23]([NH2:25])[CH:24]=1>C(#N)C>[Br-:2].[NH2:25][N:23]1[CH:24]=[N+:20]([CH:3]([C:4]2[CH:5]=[CH:6][C:7]3[N:11]=[N:10][N:9]([CH3:12])[C:8]=3[CH:13]=2)[C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[N:21]=[CH:22]1 | 1 |
[OH:1][C:2]1[CH:6]=[C:5]([C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=2)[S:4][C:3]=1[C:13]([O:15][CH3:16])=[O:14].[Br:17]Br>>[OH:1][C:2]1[C:6]([Br:17])=[C:5]([C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=2)[S:4][C:3]=1[C:13]([O:15][CH3:16])=[O:14] | 1 |
COC1=CC(=C(C=C1)CC(=O)NC=1C=CC(=NC1)C(=O)OC)C(F)(F)F>C1CCCO1.CO[H].[OH-].[Na+]>COC1=CC(=C(C=C1)CC(=O)NC=1C=CC(=NC1)C(=O)O)C(F)(F)F | 3 |
BrC1=C(C=C(C=C1)F)C(F)F>>FC(C1=C(C=O)C=CC(=C1)F)F | 5 |
C([NH:8][C:9]1[C:30]2[CH2:29][CH2:28][CH2:27][CH2:26][C:25]=2[C:12]2[O:13][CH2:14][CH:15]([C:16]3[CH:21]=[CH:20][C:19]([CH:22]([CH3:24])[CH3:23])=[CH:18][CH:17]=3)[C:11]=2[C:10]=1[CH3:31])C1C=CC=CC=1>CCCCCC.C(OCC)(=O)C>[CH:22]([C:19]1[CH:18]=[CH:17][C:16]([CH:15]2[CH2:14][O:13][C:12]3[C:25]4[CH2:26][CH2:27][CH2:28][CH2:29][C:30]=4[C:9]([NH2:8])=[C:10]([CH3:31])[C:11]2=3)=[CH:21][CH:20]=1)([CH3:24])[CH3:23] | 1 |
NC1=CC=C2C(=NN(C2=C1)C1OCCCC1)\C=C\C1=NC=CC=C1>>IC1=CC=C2C(=NN(C2=C1)C1OCCCC1)\C=C\C1=NC=CC=C1 | 5 |
Cl.FC1=C(C=CC=C1)NN.COC(C(C=CC1=CC=C(C=C1)C1=CC(=CC=C1)OCC)=O)=O>>COC(=O)C1=NN(C(C1)C1=CC=C(C=C1)C1=CC(=CC=C1)OCC)C1=C(C=CC=C1)F | 5 |
ClC=1C=CC(=C(CNC(OC(C)(C)C)=O)C1)CC(C(F)(F)F)NC1=CC=C(C=C1)OC>ClCCl.C(=O)(C(F)(F)F)O>NCC1=C(CC(C(F)(F)F)NC2=CC=C(C=C2)OC)C=CC(=C1)Cl | 3 |
[CH3:1][C:2]1[S:3][C:4]2[C:5](=[C:7]([S:11]([NH2:14])(=[O:13])=[O:12])[CH:8]=[CH:9][CH:10]=2)[N:6]=1.[CH3:15][O:16][C:17]1[CH:22]=[C:21]([O:23][CH3:24])[N:20]=[C:19]([NH:25][C:26](=O)[O:27]C2C=CC=CC=2)[N:18]=1.N12CCCCC1C=NCCC2.Cl>C(#N)C.O>[CH3:24][O:23][C:21]1[CH:22]=[C:17]([O:16][CH3:15])[N:18]=[C:19]([NH:25][C:26]([NH:14][S:11]([C:7]2[CH:8]=[CH:9][CH:10]=[C:4]3[S:3][C:2]([CH3:1])=[N:6][C:5]=23)(=[O:13])=[O:12])=[O:27])[N:20]=1 | 1 |
S1C(=CC=C1)C=O.C(C)(=O)C1=CC=C(S1)C=1SC=CC1>CCO[H].[OH-].[K+]>O=S1C=C(C=C1)C=CCC1=CC=C(S1)C=1SC=CC1 | 3 |
Cl.COC(CN)=O.C(C)(C)(C)[C@@H]1CC[C@H](CC1)OC1=C(C2=CC=CC=C2C(=C1)C)C=O>>C(C)(C)(C)[C@@H]1CC[C@H](CC1)OC1=C(C2=CC=CC=C2C(=C1)C)CNCC(=O)OC | 5 |
ClC1=NC=C(C(=N1)N[C@H]1[C@@H](CCCC1)NS(=O)(=O)C)Cl.NC1=CC2=C(CC(NCC2)=O)C=C1OC>>ClC=1C(=NC(=NC1)NC1=CC2=C(CC(NCC2)=O)C=C1OC)N[C@H]1[C@@H](CCCC1)NS(=O)(=O)C | 5 |
[F:1][C:2]1[CH:28]=[CH:27][C:5]([CH2:6][CH2:7][NH:8][C:9](=O)[C:10]2[CH:15]=[CH:14][CH:13]=[C:12]([CH2:16][S:17][CH2:18][CH2:19][C:20]3[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=3)[CH:11]=2)=[CH:4][CH:3]=1.B.C1COCC1.CO.C(O)(C(F)(F)F)=O>C1COCC1>[F:1][C:2]1[CH:28]=[CH:27][C:5]([CH2:6][CH2:7][NH:8][CH2:9][C:10]2[CH:15]=[CH:14][CH:13]=[C:12]([CH2:16][S:17][CH2:18][CH2:19][C:20]3[CH:21]=[CH:22][CH:23]=[CH:24][CH:25]=3)[CH:11]=2)=[CH:4][CH:3]=1 | 1 |
C[O:2][C:3]([C:5]1[CH:25]=[CH:24][C:8]2[NH:9][C:10]([C:12](=[O:23])[NH:13][CH:14]3[CH2:19][CH2:18][N:17]([CH:20]4[CH2:22][CH2:21]4)[CH2:16][CH2:15]3)=[N:11][C:7]=2[CH:6]=1)=[O:4].Br[CH2:27][C:28]1[O:32][N:31]=[C:30]([C:33]2[S:34][C:35]([Cl:38])=[CH:36][CH:37]=2)[CH:29]=1.CC#N.O>C(O)=O>[Cl:38][C:35]1[S:34][C:33]([C:30]2[CH:29]=[C:28]([CH2:27][N:9]3[C:8]4[CH:24]=[CH:25][C:5]([C:3]([OH:2])=[O:4])=[CH:6][C:7]=4[N:11]=[C:10]3[C:12](=[O:23])[NH:13][CH:14]3[CH2:19][CH2:18][N:17]([CH:20]4[CH2:22][CH2:21]4)[CH2:16][CH2:15]3)[O:32][N:31]=2)=[CH:37][CH:36]=1.[Cl:38][C:35]1[S:34][C:33]([C:30]2[CH:29]=[C:28]([CH2:27][N:11]3[C:7]4[CH:6]=[C:5]([C:3]([OH:2])=[O:4])[CH:25]=[CH:24][C:8]=4[N:9]=[C:10]3[C:12](=[O:23])[NH:13][CH:14]3[CH2:15][CH2:16][N:17]([CH:20]4[CH2:21][CH2:22]4)[CH2:18][CH2:19]3)[O:32][N:31]=2)=[CH:37][CH:36]=1 | 1 |
COC=1C(=NC=CC1)N1CCNCC1.FC1(CC1)C1=NC2=CC=C(C=C2C(=N1)O)N(C)CCO>CC#N.C1CCC2=NCCCN2CC1.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1C=CC=C2)O[P+](N(C)C)(N(C)C)N(C)C>FC1(CC1)C1=NC2=CC=C(C=C2C(=N1)N1CCN(CC1)C1=NC=CC=C1OC)N(CCO)C | 3 |
C(C(C)(C)C)(=O)OCC1=C(C=CC(=C1)C(C1=C(C=2N(C=C1)C(=NN2)C(F)(F)F)C)O)C>>C(C(C)(C)C)(=O)OCC1=C(C=CC(=C1)C(C1=C(C=2N(C=C1)C(=NN2)C(F)(F)F)C)Cl)C | 5 |
[Na].[CH3:2][C:3]1[C:4]([CH2:15][S@:16]([C:18]2[NH:22][C:21]3[CH:23]=[CH:24][CH:25]=[CH:26][C:20]=3[N:19]=2)=[O:17])=[N:5][CH:6]=[CH:7][C:8]=1[O:9][CH2:10][C:11]([F:14])([F:13])[F:12].[I-].[Li+].Cl[CH:30]1[CH2:34][O:33][C:32](=[O:35])[O:31]1.C(OCC)(=O)C>O1CCCC1.CN(C)C1C=CN=CC=1>[CH3:2][C:3]1[C:4]([CH2:15][S@:16]([C:18]2[N:19]([CH:30]3[CH2:34][O:33][C:32](=[O:35])[O:31]3)[C:20]3[CH:26]=[CH:25][CH:24]=[CH:23][C:21]=3[N:22]=2)=[O:17])=[N:5][CH:6]=[CH:7][C:8]=1[O:9][CH2:10][C:11]([F:14])([F:12])[F:13] | 2 |
C(C)(C)(C)OC(N[C@@H]1C[C@@H](CCC1)N)=O.ClC=1SC(=CN1)C(F)(F)F>C1CCCO1.C(C)(C)N(C(C)C)CC>C(C)(C)(C)OC(N[C@@H]1C[C@@H](CCC1)NC=1SC(=CN1)C(F)(F)F)=O | 3 |
[FH:1].F.F.C(N(CC)CC)C.O[C@@H:12]1[CH2:17][CH2:16][C@@H:15]([C:18]([O:20][CH2:21][C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)=[O:19])[C@H:14]([C:28]([O:30][CH3:31])=[O:29])[CH2:13]1>C(Cl)Cl>[F:1][C@H:12]1[CH2:17][CH2:16][C@@H:15]([C:18]([O:20][CH2:21][C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)=[O:19])[C@H:14]([C:28]([O:30][CH3:31])=[O:29])[CH2:13]1 | 2 |
[CH3:1][C:2]1[N:3]=[CH:4][C:5]([CH:8]=[N:9][S:10]([C:12]([CH3:15])([CH3:14])[CH3:13])=[O:11])=[N:6][CH:7]=1.C[Mg+].[Br-].[CH3:19]C1N=CC(C=O)=NC=1.CC([S@@](N)=O)(C)C>C(Cl)Cl.[O-]S([O-])(=O)=O.[Cu+2]>[CH3:13][C:12]([S:10]([NH:9][C@@H:8]([C:5]1[CH:4]=[N:3][C:2]([CH3:1])=[CH:7][N:6]=1)[CH3:19])=[O:11])([CH3:15])[CH3:14] | 2 |
[OH:1][CH2:2][N:3]1[C:7](=[O:8])[C:6]([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)([C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)[NH:5][C:4]1=[O:21].N1C=CC=CC=1.BrN1C(=O)CCC1=O.[P:36]([O:43]CC)([O:40][CH2:41][CH3:42])[O:37][CH2:38][CH3:39].S([O-])([O-])(=O)=S.[Na+].[Na+]>C(#N)C.C(OCC)(=O)C.O>[CH2:38]([O:37][P:36](=[O:43])([O:40][CH2:41][CH3:42])[O:1][CH2:2][N:3]1[C:7](=[O:8])[C:6]([C:15]2[CH:16]=[CH:17][CH:18]=[CH:19][CH:20]=2)([C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)[NH:5][C:4]1=[O:21])[CH3:39] | 2 |
[Na].F[C:3]1[CH:12]=[C:11]2[C:6]([C:7](=[O:13])[NH:8][CH:9]=[N:10]2)=[CH:5][CH:4]=1>C(O)C1C=CC=CC=1>[CH2:7]([O:13][C:3]1[CH:12]=[C:11]2[C:6]([C:7](=[O:13])[NH:8][CH:9]=[N:10]2)=[CH:5][CH:4]=1)[C:6]1[CH:11]=[CH:12][CH:3]=[CH:4][CH:5]=1 | 1 |
Cl.CN.BrC=1C(=NC=CN1)C(=O)N[C@@H](C)C=1N(C(C2=C(C=CC=C2C1)Cl)=O)C1=CC=CC=C1>O1CCOCC1.C(C)(C)N(C(C)C)CC>ClC=1C=CC=C2C=C(N(C(C12)=O)C1=CC=CC=C1)[C@H](C)NC(=O)C1=NC=CN=C1NC | 3 |
ClCC(C)=O>N(C)(C)C=O.C1CCCO1.C([O-])([O-])=O.[K+].[K+].OC=1C=CC=C2C=CC=NC12>O=C(COC=1C=CC=C2C=CC=NC12)C | 3 |
C1(CCOC2C=CC(C(NC(CC3C=CC(CCC)=CC=3)C(NCCO)=O)=O)=CC=2)CC1.[CH:33]1([CH2:36][CH2:37][O:38][C:39]2[CH:67]=[CH:66][C:42]([C:43]([NH:45]/[C:46](/[C:59]([NH:61][CH2:62][CH2:63][CH2:64][OH:65])=[O:60])=[CH:47]\[C:48]3[CH:53]=[CH:52][C:51]([O:54][C:55]([F:58])([F:57])[F:56])=[CH:50][CH:49]=3)=[O:44])=[CH:41][CH:40]=2)[CH2:35][CH2:34]1>>[CH:33]1([CH2:36][CH2:37][O:38][C:39]2[CH:67]=[CH:66][C:42]([C:43]([NH:45][CH:46]([CH2:47][C:48]3[CH:49]=[CH:50][C:51]([O:54][C:55]([F:58])([F:57])[F:56])=[CH:52][CH:53]=3)[C:59]([NH:61][CH2:62][CH2:63][CH2:64][OH:65])=[O:60])=[O:44])=[CH:41][CH:40]=2)[CH2:34][CH2:35]1 | 1 |
C(C1=CC=CC=C1)S.BrC=1C=C2C(=NN=C(C2=CC1)Cl)OC>>C(C1=CC=CC=C1)SC=1C=C2C(=NN=C(C2=CC1)Cl)OC | 5 |
[C:1]([O:4][CH:5]([CH2:40][O:41][C:42](=[O:44])[CH3:43])[CH2:6][NH:7][C:8]([C:10]1[C:15]([I:16])=[C:14]([N:17]2[CH2:21][CH2:20][CH:19](Br)[C:18]2=[O:23])[C:13]([I:24])=[C:12]([C:25]([NH:27][CH2:28][CH:29]([O:35][C:36](=[O:38])[CH3:37])[CH2:30][O:31][C:32](=[O:34])[CH3:33])=[O:26])[C:11]=1[I:39])=[O:9])(=[O:3])[CH3:2]>C(O)(=O)C.C([O-])(=O)C.[Ag+]>[C:1]([O:4][CH:5]([CH2:40][O:41][C:42](=[O:44])[CH3:43])[CH2:6][NH:7][C:8]([C:10]1[C:15]([I:16])=[C:14]([N:17]2[CH2:21][CH2:20][CH:19]([O:4][C:1](=[O:3])[CH3:2])[C:18]2=[O:23])[C:13]([I:24])=[C:12]([C:25]([NH:27][CH2:28][CH:29]([O:35][C:36](=[O:38])[CH3:37])[CH2:30][O:31][C:32](=[O:34])[CH3:33])=[O:26])[C:11]=1[I:39])=[O:9])(=[O:3])[CH3:2] | 1 |
ClC=1C=C2C(=NC1C1=CC=C(C=C1)C1=CC=CC=C1)N=C(N2COCC[Si](C)(C)C)O[C@H]2[C@]([C@H](OC2)CO[Si](O)(C(C)(C)C)C(C)(C)C)(O)C>>ClC=1C=C2C(=NC1C1=CC=C(C=C1)C1=CC=CC=C1)N=C(N2)O[C@H]2[C@]([C@H](OC2)CO)(O)C | 5 |
[C:1]1([CH2:7][O:8][C:9]2[CH:14]=[CH:13][C:12]([C:15]([F:18])([F:17])[F:16])=[CH:11][C:10]=2[C:19]2[CH2:24][CH2:23][CH2:22][CH2:21][C:20]=2B(O)O)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.Br[C:29]1[N:34]=[C:33]([C:35]([O:37][CH2:38][CH3:39])=[O:36])[CH:32]=[CH:31][CH:30]=1.C(=O)([O-])[O-].[K+].[K+].C1(C)C=CC=CC=1.C(O)C>O.C(OCC)C.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:1]1([CH2:7][O:8][C:9]2[CH:14]=[CH:13][C:12]([C:15]([F:18])([F:17])[F:16])=[CH:11][C:10]=2[C:19]2[CH2:24][CH2:23][CH2:22][CH2:21][C:20]=2[C:29]2[N:34]=[C:33]([C:35]([O:37][CH2:38][CH3:39])=[O:36])[CH:32]=[CH:31][CH:30]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1 | 2 |
C(OC([N:8]1[CH2:13][CH2:12][C:11](=O)[CH2:10][CH2:9]1)=O)(C)(C)C.[F:15][C:16]1[CH:21]=[CH:20][C:19]([CH:22]=[CH:23][N+:24]([O-])=O)=[CH:18][CH:17]=1>C(N)C1C=CC=CC=1>[CH2:22]([N:24]1[C:11]2[CH2:10][CH2:9][NH:8][CH2:13][C:12]=2[C:22]([C:19]2[CH:20]=[CH:21][C:16]([F:15])=[CH:17][CH:18]=2)=[CH:23]1)[C:19]1[CH:20]=[CH:21][CH:16]=[CH:17][CH:18]=1 | 1 |
C(C)OC(OCC)OCC.NC=1N=C(SC1C(=O)NC1=C(C=C(C(=C1)SCC(F)(F)F)C)C)C=1C=NC=CC1>C1(=CC=C(C=C1)S(=O)(=O)O)C>CC1=C(C=C(C(=C1)C)SCC(F)(F)F)N1C=NC2=C(C1=O)SC(=N2)C=2C=NC=CC2 | 3 |
C1(=CC=CC=C1)CC(=O)Cl.S1C=CC=C1>C1=CC=CC=C1.[Sn](Cl)(Cl)(Cl)Cl>C1(=CC=CC=C1)CC(=O)C=1SC=CC1 | 3 |
O.O.O.O.O.O.Cl[Fe](Cl)Cl.FC(C1=CC=C(C=C1)/C=C/C(=O)OCC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])(OC1=CC=C(C=C1)OCCCC(F)(F)F)F>>FC(C1=CC=C(C=C1)/C=C/C(=O)OCC1=CC(=CC(=C1)N)N)(OC1=CC=C(C=C1)OCCCC(F)(F)F)F | 5 |
C(=O)(OC(C)(C)C)N[C@@H](C)C(=O)O.C(C)(C)(C)OC(=O)N[C@H](C(=O)OCCNC(=O)OCC1=CC=CC=C1)C.C(=O)(OCC1=CC=CC=C1)C(C)(O)N>CC#N.C1(=CC=NC=C1)N(C)C.Cl.C(C)N=C=NCCCN(C)C>N[C@@H](C)C(=O)OCCNP(=O)(OC1=CC=CC=C1)OC[C@]1(O[C@H]([C@@H]([C@@H]1O)O)C1=CC=C2C(=NC=NN21)N)C#N | 3 |
ClC=1C=C(C=CC1OCC1=NC=CC=C1)NC1=NC=NC2=CC(=C(C=C12)[N+](=O)[O-])OC[C@H]1N(CCC1)C>>ClC=1C=C(C=CC1OCC1=NC=CC=C1)NC1=NC=NC2=CC(=C(C=C12)N)OC[C@H]1N(CCC1)C | 5 |
[P:1]([O-:21])([O:12][CH2:13][CH:14]([CH2:19][CH3:20])[CH2:15][CH2:16][CH2:17][CH3:18])([O:3][CH2:4][CH:5]([CH2:10][CH3:11])[CH2:6][CH2:7][CH2:8][CH3:9])=[O:2].[OH-].[Na+:23]>>[P:1]([O-:21])([O:3][CH2:4][CH:5]([CH2:10][CH3:11])[CH2:6][CH2:7][CH2:8][CH3:9])([O:12][CH2:13][CH:14]([CH2:19][CH3:20])[CH2:15][CH2:16][CH2:17][CH3:18])=[O:2].[Na+:23] | 1 |
[CH3:1][O:2][C:3](=[O:28])[CH:4]([N:17]1[C:25](=[O:26])[C:24]2[C:19](=[CH:20][CH:21]=[CH:22][CH:23]=2)[C:18]1=[O:27])[CH2:5][NH:6][CH2:7][CH2:8][NH:9][C:10]([O:12][C:13]([CH3:16])([CH3:15])[CH3:14])=[O:11].C(N(CC)CC)C.Cl[C:37]([O:39][CH2:40][CH3:41])=[O:38].[Cl-].[NH4+]>ClCCl>[CH3:1][O:2][C:3](=[O:28])[CH:4]([N:17]1[C:18](=[O:27])[C:19]2[C:24](=[CH:23][CH:22]=[CH:21][CH:20]=2)[C:25]1=[O:26])[CH2:5][N:6]([CH2:7][CH2:8][NH:9][C:10]([O:12][C:13]([CH3:16])([CH3:14])[CH3:15])=[O:11])[C:37]([O:39][CH2:40][CH3:41])=[O:38] | 1 |
C(CC(=O)C)(=O)OCC.ClC1=C(C=C(C=C1)Cl)C>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>[N+](=O)([O-])C1=C(C=CC(=C1)Cl)C(C(=O)OCC)C(C)=O | 3 |
[N:1]([O-])=O.[Na+].[ClH:5].Cl.[CH3:7][C:8]1[CH:9]=[CH:10][C:11]([CH2:14][O:15][C:16]2[CH:22]=[CH:21][C:19]([NH2:20])=[CH:18][CH:17]=2)=[N:12][CH:13]=1.Cl.S(S([O-])=O)([O-])=O.[Na+].[Na+].[OH-].[Na+]>O>[ClH:5].[ClH:5].[NH:20]([C:19]1[CH:21]=[CH:22][C:16]([O:15][CH2:14][C:11]2[CH:10]=[CH:9][C:8]([CH3:7])=[CH:13][N:12]=2)=[CH:17][CH:18]=1)[NH2:1] | 2 |
C(=O)(C(=O)OCC)NC1=C2CCCCC2=C(C=C1[N+](=O)[O-])S(=O)(=O)NC(=O)C(=O)OCC>CCO[H].[HH].[C].[Pt]>C(=O)(C(=O)OCC)NS(=O)(=O)C=1C2=C(C=3NC(C(N(C3C1)O)=O)=O)CCCC2 | 3 |
[NH2:1]C1C=CC(C2C3C(=NC=NC=3N)N(C3CCN(C4CCN(C)CC4)CC3)N=2)=CC=1[O:31]C.[CH3:33][N:34]1[C:42]2[C:37](=[CH:38][CH:39]=[CH:40][CH:41]=2)[CH:36]=[C:35]1[C:43](Cl)=[O:44].[OH-].[Na+]>N1C=CC=CC=1.ClCCl>[OH-:31].[NH4+:1].[CH3:33][N:34]1[C:42]2[C:37](=[CH:38][CH:39]=[CH:40][CH:41]=2)[CH:36]=[C:35]1[C:43]([NH2:1])=[O:44] | 1 |
BrC1=C(C=C2C(=CN(C2=C1)CC(C)C)CN)F>O.CCN(CC)CC.C(C)(=O)OCC.FC(S(=O)(=O)Cl)(F)F>BrC1=C(C=C2C(=CN(C2=C1)CC(C)C)CNS(=O)(=O)C(F)(F)F)F | 3 |
[CH3:1][C:2]1[C:3]([C@H:8]2[CH2:13][CH2:12][CH2:11][C@@H:10]([C:14]3[C:19]([CH3:20])=[CH:18][CH:17]=[CH:16][N:15]=3)[NH:9]2)=[N:4][CH:5]=[CH:6][CH:7]=1.[CH2:21]([O:23][C:24](=[O:30])[CH2:25][CH2:26][CH2:27][CH2:28]Br)[CH3:22].CCN(C(C)C)C(C)C>CC#N>[CH2:21]([O:23][C:24](=[O:30])[CH2:25][CH2:26][CH2:27][CH2:28][N:9]1[C@H:8]([C:3]2[C:2]([CH3:1])=[CH:7][CH:6]=[CH:5][N:4]=2)[CH2:13][CH2:12][CH2:11][C@@H:10]1[C:14]1[C:19]([CH3:20])=[CH:18][CH:17]=[CH:16][N:15]=1)[CH3:22] | 1 |
FC1=CC=C(C=C1)B(O)O.NC1=NC(=CN=C1)Cl>O.O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].ClCCl.[Pd](Cl)Cl.C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2].C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]>FC1=CC=C(C=C1)C1=CN=CC(=N1)N | 3 |
ClC1=C(C(=C(C=C1)NC(C(C)(C)C)=O)C#CC)C(F)(F)F>>CC=1NC2=CC=C(C(=C2C1)C(F)(F)F)C#N | 5 |
BrC1=CN(C=2N=CN=C(C21)N)[C@@H]2C[C@@H](C2)CN2CCS(CC2)(=O)=O.FC1=C(C=C(C=C1)OCC1OCCC1)B1OC(C(O1)(C)C)(C)C>>O=S1(CCN(CC1)C[C@H]1C[C@H](C1)N1C=C(C2=C1N=CN=C2N)C2=C(C=CC(=C2)OCC2OCCC2)F)=O | 5 |
[Br:1]CC(C1C=CC=CC=1F)=O.FC1C=CC=CC=1C(=O)C.[F:22][C:23]1[CH:24]=[C:25]([C:30](=[O:32])[CH3:31])[CH:26]=[C:27]([F:29])[CH:28]=1>>[Br:1][CH2:31][C:30]([C:25]1[CH:24]=[C:23]([F:22])[CH:28]=[C:27]([F:29])[CH:26]=1)=[O:32] | 2 |
ClC1=CC=C(C=C1)CC(C(=O)OC)(OC)OC>C(=O)O>ClC1=CC=C(C=C1)CCC(=O)OC | 3 |
CI.ClC1=CC2=C(CC3(CN(CC4=CC=CC=C34)C(NC)=S)O2)C=C1>C(C)OCC.CO[H].CCO[H]>I.ClC1=CC2=C(CC3(CN(CC4=CC=CC=C34)C(NC)=SC)O2)C=C1 | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]2[C:10]([C:11]3[N:16]=[C:15]([NH:17][CH2:18][CH:19]4[CH2:24][C:23]([F:26])([F:25])[CH2:22][CH2:21][NH:20]4)[C:14]([F:27])=[CH:13][N:12]=3)=[CH:9][NH:8][C:5]2=[N:6][CH:7]=1.ClC1C=C2C(C3N=C(NCC4CC(F)(F)CCN4C(OC(C)(C)C)=O)C(F)=CN=3)=CNC2=NC=1.CCN(C(C)C)C(C)C.[CH3:71][O:72][CH2:73][CH2:74][C:75](Cl)=[O:76]>C(Cl)Cl.CN(C=O)C>[Cl:1][C:2]1[CH:3]=[C:4]2[C:10]([C:11]3[N:16]=[C:15]([NH:17][CH2:18][CH:19]4[CH2:24][C:23]([F:26])([F:25])[CH2:22][CH2:21][N:20]4[C:75](=[O:76])[CH2:74][CH2:73][O:72][CH3:71])[C:14]([F:27])=[CH:13][N:12]=3)=[CH:9][NH:8][C:5]2=[N:6][CH:7]=1 | 1 |
C(C)(C)(C)C=1OC2=C(N1)C=CC(=C2[S-])Cl.[Na+].CC1=CC=C(C=C1)S(=O)(=O)O[C@H]1COC[C@@H]1O>CC#N.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C)(C)(C)C=1OC2=C(N1)C=CC(=C2S[C@H]2[C@H](COC2)O)Cl | 3 |
FC1=C(CN2N=C(C3=CC=CC=C23)C2=NC=C(C(=N2)NC2=CC=NC=C2)O)C=CC=C1>>FC(S(=O)(=O)OC=1C(=NC(=NC1)C1=NN(C2=CC=CC=C12)CC1=C(C=CC=C1)F)NC1=CC=NC=C1)(F)F | 5 |
C(C)(C)(C)[C@]1(N(CCC2=CC=CC=C12)C(=O)[C@H]1[C@@H](NCCO1)CF)C1=CC=C(C=C1)F>Cl.C(C)(C)O.C(O)([O-])=O.[Na+]>F[C@@H]1CNCCO[C@H]1C(=O)N1[C@H](C2=CC=CC=C2CC1)C1=CC=C(C=C1)F | 3 |
[CH2:1]([O:3][C:4]([C:6]1([NH:11][C:12]([CH:14]2[CH2:18][CH:17]([O:19][C:20]3[CH:25]=[C:24]([C:26]([CH3:29])([CH3:28])[CH3:27])[N:23]=[C:22]([O:30][CH3:31])[N:21]=3)[CH2:16][CH:15]2[C:32](=[O:41])[N:33]([CH2:35][CH2:36][CH2:37][CH2:38][CH:39]=C)[CH3:34])=[O:13])[CH2:8][CH:7]1[CH:9]=C)=[O:5])[CH3:2]>CC1C=C(C)C(N2C(=[Ru](Cl)(Cl)=CC3C=CC=CC=3OC(C)C)N(C3C(C)=CC(C)=CC=3C)CC2)=C(C)C=1>[CH2:1]([O:3][C:4]([C:6]12[CH2:8][CH:7]1[CH:9]=[CH:39][CH2:38][CH2:37][CH2:36][CH2:35][N:33]([CH3:34])[C:32](=[O:41])[CH:15]1[CH:14]([CH2:18][CH:17]([O:19][C:20]3[CH:25]=[C:24]([C:26]([CH3:28])([CH3:29])[CH3:27])[N:23]=[C:22]([O:30][CH3:31])[N:21]=3)[CH2:16]1)[C:12](=[O:13])[NH:11]2)=[O:5])[CH3:2] | 1 |
[C-]#N.[K+].[C:4]([O:12]C)(=O)[C:5]1[CH:10]=[CH:9][N:8]=[CH:7][CH:6]=1.[NH2:14][OH:15].O>O1CCCC1.CO>[OH:15][NH:14][C:4](=[O:12])[C:5]1[CH:10]=[CH:9][N:8]=[CH:7][CH:6]=1 | 1 |
C(C)(C)(C)[Si](C1=CC=CC=C1)(C1=CC=CC=C1)OCCC(C)N1N=C(C=2C=NC(=CC21)Cl)C=2N(C=CC2)CCCl>N(C)(C)C=O.O.[I-].[K+].CNC>[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OCCC(C)N1N=C(C=2C=NC(=CC21)Cl)C=2N(C=CC2)CCN(C)C | 3 |
C(C1=CC=CC=C1)(=O)NC1CCC(N2N(C1=O)C(CCC2)C(=O)NC(CCC(=O)OC(C)(C)C)C=O)=O>>C(C1=CC=CC=C1)(=O)NC1CCC(N2N(C1=O)C(CCC2)C(=O)NC(CCC(=O)O)C=O)=O | 5 |
CN1CC(CCC1)CN.COC1=C(C=C(C=N1)N1N=C(C2=C1CCOCC2)C(=O)O)C>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>COC1=C(C=C(C=N1)N1N=C(C2=C1CCOCC2)C(=O)NCC2CN(CCC2)C)C | 3 |
ClC(=O)OCC1=CC=CC=C1.FC(C(=O)O)(F)F.C[C@H](C[C@H](N)C(=O)O)C(=O)O>>C(C1=CC=CC=C1)OC(=O)N[C@@H](C[C@H](C(=O)O)C)C(=O)O | 5 |
C(C)(C)(C)OC(=O)N1C(CC(CC1)=O)C>CO[H].[Na+].[BH4-]>C(C)(C)(C)OC(=O)N1[C@H](C[C@H](CC1)O)C.C(C)(C)(C)OC(=O)N1[C@H](C[C@@H](CC1)O)C | 3 |
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