smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
FC1=C(C=CC=C1F)OC.ClC1=C(C(=O)Cl)C=C(C=C1)Br>ClCCl.[Al](Cl)(Cl)Cl>BrC=1C=CC(=C(C1)C(=O)C1=C(C(=C(C=C1)OC)F)F)Cl | 3 |
CO[C:3]([C:5]1[C:6]([OH:35])=[C:7]2[C:12](=[C:13]([C:15]3[CH:20]=[CH:19][N:18]=[N:17][CH:16]=3)[N:14]=1)[N:11]([CH2:21][C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1)[C:10](=[O:28])[C:9]([C:29]1[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1)=[CH:8]2)=[O:4].[NH2:36][CH2:37][CH2:38][C:39]([OH:41])=[O:40].C[O-].[Na+]>C([O-])(O)=O.[Na+]>[CH2:21]([N:11]1[C:12]2[C:7](=[C:6]([OH:35])[C:5]([C:3]([NH:36][CH2:37][CH2:38][C:39]([OH:41])=[O:40])=[O:4])=[N:14][C:13]=2[C:15]2[CH:20]=[CH:19][N:18]=[N:17][CH:16]=2)[CH:8]=[C:9]([C:29]2[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=2)[C:10]1=[O:28])[C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1 | 1 |
N1(CCOCC1)CCNC=1SC2=C(N1)C=CC(=C2)[N+](=O)[O-]>CCO[H].O.O.[Sn](Cl)Cl>N1(CCOCC1)CCNC=1SC2=C(N1)C=CC(=C2)N | 3 |
C(#N)C(=C(C1=CC=CC=C1)N1CCN(CC1)C(=O)OC(C)(C)C)C#N>ClCCl.C(=O)(C(F)(F)F)O>C1(=CC=CC=C1)C(=C(C#N)C#N)N1CCNCC1 | 3 |
[NH2:1][C:2]1[N:7]=[CH:6][C:5](/[CH:8]=[CH:9]/[C:10]([O:12][CH3:13])=[O:11])=[CH:4][CH:3]=1.C(N(CC)CC)C.[Br:21][CH2:22][CH2:23][CH2:24][C:25](Cl)=[O:26].O>ClCCl>[Br:21][CH2:22][CH2:23][CH2:24][C:25]([NH:1][C:2]1[N:7]=[CH:6][C:5](/[CH:8]=[CH:9]/[C:10]([O:12][CH3:13])=[O:11])=[CH:4][CH:3]=1)=[O:26] | 1 |
ClC=1C=C2CCC(C2=CC1C(F)(F)F)=O>>ClC=1C=C2CCNC(C2=CC1C(F)(F)F)=O | 5 |
N=1C=CN2C1C=CC(=C2)NC(NC2=CC=C(C=C2)C2=CCN(CC2)C(=O)OC(C)(C)C)=O>>N=1C=CN2C1C=CC(=C2)NC(=O)NC2=CC=C(C=C2)C=2CCNCC2 | 5 |
[C:1]([Si:3]([CH3:6])([CH3:5])[CH3:4])#[CH:2].Br[C:8]1[CH:13]=[CH:12][C:11]([CH2:14][N:15]2[C:19]([CH3:20])=[CH:18][C:17]([C:21]3[O:25][N:24]=[C:23]([C:26]4[CH:31]=[CH:30][C:29]([O:32][C:33]([F:36])([F:35])[F:34])=[CH:28][CH:27]=4)[N:22]=3)=[N:16]2)=[CH:10][N:9]=1>C(N(CC)CC)C.C(OCC)(=O)C.[Cu]I.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>[CH3:20][C:19]1[N:15]([CH2:14][C:11]2[CH:12]=[CH:13][C:8]([C:2]#[C:1][Si:3]([CH3:6])([CH3:5])[CH3:4])=[N:9][CH:10]=2)[N:16]=[C:17]([C:21]2[O:25][N:24]=[C:23]([C:26]3[CH:31]=[CH:30][C:29]([O:32][C:33]([F:36])([F:34])[F:35])=[CH:28][CH:27]=3)[N:22]=2)[CH:18]=1 | 2 |
C(C)(C)(C)OC(=O)N1CCC(CC1)CN>>C(C)(C)(C)OC(=O)N1CCC(CC1)CN=C=S | 5 |
Br[C:2]1[CH:9]=[CH:8][C:5]([CH:6]=[O:7])=[CH:4][N:3]=1.[CH:10]#[C:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C(N(CC)CC)C>C1COCC1.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.[Cu]I>[C:10]([C:2]1[CH:9]=[CH:8][C:5]([CH:6]=[O:7])=[CH:4][N:3]=1)#[C:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21] | 1 |
OC[C@@H](OC=1C=C(OC2=CC=C(C(=O)O)C=C2)C=C(C1)C(=O)NC1=NN(C=C1)C)C>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.N1CCCCC1.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>OC[C@@H](OC=1C=C(C(=O)NC2=NN(C=C2)C)C=C(C1)OC1=CC=C(C=C1)C(=O)N1CCCCC1)C | 3 |
O1C(OCC1)C[Mg]Br.ClC1=CC(=C(C=C1)N1C(=NN=C1C)C=O)C(C1=C(C(=CC=C1)OC)OC)=O>C1CCCO1>ClC=1C=CC(=C(C1)C(=O)C1=C(C(=CC=C1)OC)OC)N1C(=NN=C1C)C(CC1OCCO1)O | 3 |
ClC1=C(C=NC(=C1F)C1=C(C(=CC=C1F)[N+](=O)[O-])F)C(=O)OCC>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>ClC1=C(C=NC(=C1F)C1=C(C(=CC=C1F)[N+](=O)[O-])F)CO | 3 |
COC(=O)[C@@H]1OC(OC1)COC(C1=CC=CC=C1)=O>>C(C1=CC=CC=C1)(=O)OC[C@H]1OC[C@@H](O1)C(=O)O | 5 |
BrC=1C=C(C(=CC1)N)N.C(C1=CC=CC=C1)OC1=CC=C(OC2=C(C=C(C=O)C=C2)[N+](=O)[O-])C=C1>N(C)(C)C=O.O.S(=O)(=O)(O[O-])[O-].[K+].[K+]>C(C1=CC=CC=C1)OC1=CC=C(OC2=C(C=C(C=C2)C2=NC3=C(N2)C=C(C=C3)Br)[N+](=O)[O-])C=C1 | 3 |
COC(CCC(N1C(C2=CC=CC(=C2C1)OCC1=CC=C(C=C1)CN1CCOCC1)=O)C(N)=O)=O>>O1CCN(CC1)CC1=CC=C(COC2=C3CN(C(C3=CC=C2)=O)C2C(NC(CC2)=O)=O)C=C1 | 5 |
N1=CC=C(C=C1)C1=C2CC(NC2=CC=C1)=O.CC1=C(NC=C1C(=O)N1CCCCC1)C=O>>CC1=C(NC=C1C(=O)N1CCCCC1)C=C1C(NC2=CC=CC(=C12)C1=CC=NC=C1)=O | 5 |
[CH2:1]1[O:12][C:11]2[CH:10]=[C:9]3[C:5]([CH:6]=[C:7]([S:22](=[O:25])(=[O:24])[NH2:23])[N:8]3S(C3C=CC=CC=3)(=O)=O)=[CH:4][C:3]=2[O:2]1.[OH-].[Na+]>O>[CH2:1]1[O:12][C:11]2[CH:10]=[C:9]3[C:5]([CH:6]=[C:7]([S:22](=[O:24])(=[O:25])[NH2:23])[NH:8]3)=[CH:4][C:3]=2[O:2]1 | 1 |
FC(F)(F)C1C=CC(C2C=CC=C([CH2:15][O:16][C:17]3[CH:22]=[CH:21][C:20]([C:23]4([CH2:27][C:28]([O:30][CH2:31][CH3:32])=[O:29])[CH2:26][O:25][CH2:24]4)=[CH:19][CH:18]=3)C=2)=CC=1.OC1C=CC(C2(CC(OCC)=O)COC2)=CC=1.[F:52][C:53]1[C:60]([C:61]([F:64])([F:63])[F:62])=[CH:59][CH:58]=[CH:57][C:54]=1CBr>>[F:52][C:53]1[C:60]([C:61]([F:62])([F:63])[F:64])=[CH:59][CH:58]=[CH:57][C:54]=1[CH2:15][O:16][C:17]1[CH:22]=[CH:21][C:20]([C:23]2([CH2:27][C:28]([O:30][CH2:31][CH3:32])=[O:29])[CH2:24][O:25][CH2:26]2)=[CH:19][CH:18]=1 | 2 |
BrC=1C=C(C=CC1)N=NC(C(=O)N)C#N>>NC1=C(N=NC2=CC(=CC=C12)Br)C(=O)N | 5 |
BrC1=CSC2=C1N=CN=C2SC.FC1=C(C=CC(=C1)S(=O)(=O)C)B1OC(C(O1)(C)C)(C)C>O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>FC1=C(C=CC(=C1)S(=O)(=O)C)C1=CSC2=C1N=CN=C2SC | 3 |
[Br:1][C:2]1[CH:3]=[C:4]2[C:9]([NH:10][C@H:11]3[C@@H:15]([CH2:16][F:17])[CH2:14][N:13](C(OCC4C=CC=CC=4)=O)[CH2:12]3)=[C:8]([C:28](=[O:30])[NH2:29])[CH:7]=[N:6][N:5]2[CH:31]=1.[Si](I)(C)(C)C>C(#N)C>[Br:1][C:2]1[CH:3]=[C:4]2[C:9]([NH:10][C@H:11]3[C@@H:15]([CH2:16][F:17])[CH2:14][NH:13][CH2:12]3)=[C:8]([C:28]([NH2:29])=[O:30])[CH:7]=[N:6][N:5]2[CH:31]=1 | 1 |
C(OC(=O)[N:7]([CH:30]1[CH2:34][CH2:33][CH2:32][CH2:31]1)[CH2:8][CH2:9][NH:10][C:11]1[N:16]2[N:17]=[C:18]([CH3:28])[C:19]([C:20]3[CH:25]=[CH:24][CH:23]=[C:22]([Cl:26])[C:21]=3[Cl:27])=[C:15]2[N:14]=[C:13]([CH3:29])[CH:12]=1)(C)(C)C>C(O)C>[ClH:26].[CH:30]1([NH:7][CH2:8][CH2:9][NH:10][C:11]2[N:16]3[N:17]=[C:18]([CH3:28])[C:19]([C:20]4[CH:25]=[CH:24][CH:23]=[C:22]([Cl:26])[C:21]=4[Cl:27])=[C:15]3[N:14]=[C:13]([CH3:29])[CH:12]=2)[CH2:31][CH2:32][CH2:33][CH2:34]1 | 1 |
C(CCCCCCC\C=C/CCCCCCCC)O.C(CCC)(=O)Cl>C(C)OCC.c1ccncc1>C(CCC)(=O)OCCCCCCCC\C=C/CCCCCCCC | 3 |
FC1=CC=C(C=C1)C(CC1=CC=NC=C1)=NO.FC1=CC=C(C=C1)C(C(=O)C1=CC=CC=C1)C1=CC=NC=C1>c1ccncc1.CCO[H].Cl.NO>FC1=CC=C(C=C1)C1=C(N=C(O1)C)C1=CC=NC=C1 | 3 |
C(=O)C1C(C2C(C(C1)C2)(C)C)C>C1CCNC1.C(=O)O>N1(CCCC1)CC1C(C2C(C(C1)C2)(C)C)C | 3 |
ClC1=C(C=C(C(=O)O)C=C1)S(=O)(=O)C>CO[H].ClS(Cl)=O>ClC1=C(C=C(C(=O)OC)C=C1)S(=O)(=O)C | 3 |
[CH:1]1([CH:4]([NH2:8])[CH:5]2[CH2:7][CH2:6]2)[CH2:3][CH2:2]1.[Cl:9][CH2:10][CH2:11][N:12]=[C:13]=[O:14]>O1CCCC1>[CH:1]1([CH:4]([CH:5]2[CH2:7][CH2:6]2)[NH:8][C:13]([NH:12][CH2:11][CH2:10][Cl:9])=[O:14])[CH2:3][CH2:2]1 | 1 |
C1N(CCC2=CC=CC=C12)C=1C2=C(N=C(N1)C=1C=NNC1)CN(C2)C(=O)OC(C)(C)C>C(C)OCC.ClCCl.C(=O)(C(F)(F)F)O.CCCCC>FC(C(=O)O)(F)F.N1N=CC(=C1)C=1N=C(C2=C(N1)CNC2)N2CC1=CC=CC=C1CC2 | 3 |
Br[C:2]1[N:6]([CH2:7][C:8]2[CH:13]=[CH:12][C:11]([O:14][CH3:15])=[CH:10][CH:9]=2)[N:5]=[C:4]([N+:16]([O-:18])=[O:17])[N:3]=1.[CH3:19][O:20][C:21]1[CH:37]=[CH:36][C:24]([CH2:25][NH:26][CH2:27][C:28]2[CH:33]=[CH:32][C:31]([O:34][CH3:35])=[CH:30][CH:29]=2)=[CH:23][CH:22]=1>C(Cl)Cl>[CH3:35][O:34][C:31]1[CH:30]=[CH:29][C:28]([CH2:27][N:26]([CH2:25][C:24]2[CH:36]=[CH:37][C:21]([O:20][CH3:19])=[CH:22][CH:23]=2)[C:2]2[N:6]([CH2:7][C:8]3[CH:13]=[CH:12][C:11]([O:14][CH3:15])=[CH:10][CH:9]=3)[N:5]=[C:4]([N+:16]([O-:18])=[O:17])[N:3]=2)=[CH:33][CH:32]=1 | 2 |
ClC1=CC(=C(N=N1)C1=CC=CC=C1)N1CCN(CC1)C(=O)C1=CC=CC=C1>>C1(=CC=CC=C1)C(=O)N1CCN(CC1)C1=C(N=NC=C1)C1=CC=CC=C1 | 5 |
C(C1=CC=CC=C1)OC1=C(C=CC=C1)C(C=1C=CC(=C(C1)NC(=O)C1=CC(=NN1C1=CC(=CC=C1)C#N)C(F)(F)F)F)NCC1CC1>O.CO[H].ClCCl.B(Br)(Br)Br>C(#N)C=1C=C(C=CC1)N1N=C(C=C1C(=O)NC1=C(C=CC(=C1)C(C1=C(C=CC=C1)O)NCC1CC1)F)C(F)(F)F | 3 |
[Br:1]Br.[CH3:3][C:4]1[O:8][N:7]=[C:6]([C:9]([O:11][CH3:12])=[O:10])[CH:5]=1.C(=O)([O-])[O-].[K+].[K+]>C(Cl)(Cl)Cl>[Br:1][C:5]1[C:6]([C:9]([O:11][CH3:12])=[O:10])=[N:7][O:8][C:4]=1[CH3:3] | 2 |
[CH2:1]([N:3]1[C:12]2[C:7](=[CH:8][C:9]([N+:13]([O-])=O)=[CH:10][CH:11]=2)[C:6](=[O:16])[N:5]([CH2:17][CH:18]2[CH2:21][O:20][CH2:19]2)[C:4]1=[O:22])[CH3:2].[H][H]>[Pd].CO>[NH2:13][C:9]1[CH:8]=[C:7]2[C:12](=[CH:11][CH:10]=1)[N:3]([CH2:1][CH3:2])[C:4](=[O:22])[N:5]([CH2:17][CH:18]1[CH2:19][O:20][CH2:21]1)[C:6]2=[O:16] | 2 |
[NH2:1][C:2]1[C:9]([O:10][CH3:11])=[CH:8][C:7](Br)=[CH:6][C:3]=1[C:4]#[N:5].[Br-].[CH3:14][CH:15]([CH3:18])[CH2:16][Zn+].O>C1COCC1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.Cl[Pd]Cl.[Fe+2]>[NH2:1][C:2]1[C:9]([O:10][CH3:11])=[CH:8][C:7]([CH2:14][CH:15]([CH3:18])[CH3:16])=[CH:6][C:3]=1[C:4]#[N:5] | 2 |
N[C@@H]1CC[C@H](CC1)C(C)(C)O.ClC=1C=C(O[C@@H]2C[C@H](C2)C(=O)O)C=CC1>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>ClC=1C=C(O[C@@H]2C[C@H](C2)C(=O)N[C@@H]2CC[C@H](CC2)C(C)(C)O)C=CC1 | 3 |
[Br:1][C:2]1[CH:14]=[CH:13][C:12]([C:15]([NH2:17])=[O:16])=[C:11]2[C:3]=1[C:4]1[CH2:5][CH2:6][CH:7]([CH2:18][NH:19][C:20](=[O:25])[CH2:21][CH2:22][CH2:23]Br)[CH2:8][C:9]=1[NH:10]2.[H-].[Na+]>CN(C=O)C.O>[Br:1][C:2]1[CH:14]=[CH:13][C:12]([C:15]([NH2:17])=[O:16])=[C:11]2[C:3]=1[C:4]1[CH2:5][CH2:6][CH:7]([CH2:18][N:19]3[CH2:23][CH2:22][CH2:21][C:20]3=[O:25])[CH2:8][C:9]=1[NH:10]2 | 1 |
C(C)OC(C1=C(N=CC=C1Br)Cl)=O>CO[H].C[O-].[Na+]>C(C)OC(C1=C(N=CC=C1OC)Cl)=O | 3 |
[Cl:1][C:2]1[CH:7]=[C:6]([OH:8])[CH:5]=[CH:4][C:3]=1[CH:9]([CH3:28])[C:10]([C:16]1[CH:17]=[CH:18][C:19]2[O:24][CH2:23][C:22](=[O:25])[N:21]([CH3:26])[C:20]=2[CH:27]=1)([OH:15])[C:11]([F:14])([F:13])[F:12].[Cl:29][C:30]1[CH:31]=[C:32](B(O)O)[CH:33]=[CH:34][C:35]=1[C:36]([O:38][CH3:39])=[O:37]>C([O-])(=O)C.[Cu+2].C([O-])(=O)C.N1C=CC=CC=1>[CH3:39][O:38][C:36](=[O:37])[C:35]1[CH:34]=[CH:33][C:32]([O:8][C:6]2[CH:5]=[CH:4][C:3]([CH:9]([CH3:28])[C:10]([OH:15])([C:16]3[CH:17]=[CH:18][C:19]4[O:24][CH2:23][C:22](=[O:25])[N:21]([CH3:26])[C:20]=4[CH:27]=3)[C:11]([F:12])([F:13])[F:14])=[C:2]([Cl:1])[CH:7]=2)=[CH:31][C:30]=1[Cl:29] | 1 |
[S:1](CCCCCCCC)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH3:9].P12(SP3(SP(SP(S3)(S1)=S)(=S)S2)=S)=S.[P:32](Cl)([Cl:35])([Cl:34])=[S:33]>>[CH2:2]([S:1][P:32]([Cl:35])([Cl:34])=[S:33])[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH3:9] | 1 |
[CH2:1]([O:8][C:9]1[CH:10]=[C:11]([CH:14]=[CH:15][C:16]=1[O:17][CH2:18][CH3:19])[CH2:12]O)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.CC(C)(O)[C:22]#[N:23].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.N(C(OCC)=O)=NC(OCC)=O>C1(C)C=CC=CC=1.O1CCCC1>[CH2:1]([O:8][C:9]1[CH:10]=[C:11]([CH2:12][C:22]#[N:23])[CH:14]=[CH:15][C:16]=1[O:17][CH2:18][CH3:19])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 2 |
[CH3:1][CH:2]([CH3:6])[C:3](=O)[CH3:4].BrBr.C([O-])(=O)C.[Na+].[C:14]1([CH2:20][CH2:21][NH:22][C:23]([NH2:25])=[S:24])[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1.C(=O)([O-])O.[Na+]>CO>[CH:2]([C:3]1[N:25]=[C:23]([NH:22][CH2:21][CH2:20][C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[S:24][CH:4]=1)([CH3:6])[CH3:1] | 1 |
[CH2:1]([C:5]1[S:9][C:8]([C:10]([NH:12][NH:13][C:14](=O)[C:15]2[CH:20]=[C:19]([CH3:21])[C:18]([O:22][CH2:23][CH:24]=[CH2:25])=[C:17]([CH3:26])[CH:16]=2)=[O:11])=[CH:7][CH:6]=1)[CH:2]([CH3:4])[CH3:3].CC[N+](S(N=C(OC)[O-])(=O)=O)(CC)CC>C1COCC1.C(OCC)C>[CH2:23]([O:22][C:18]1[C:19]([CH3:21])=[CH:20][C:15]([C:14]2[O:11][C:10]([C:8]3[S:9][C:5]([CH2:1][CH:2]([CH3:4])[CH3:3])=[CH:6][CH:7]=3)=[N:12][N:13]=2)=[CH:16][C:17]=1[CH3:26])[CH:24]=[CH2:25] | 1 |
Cl[C:2]1[C:7]([CH3:8])=[CH:6][CH:5]=[CH:4][C:3]=1[CH3:9].[C:10]([O:15][CH3:16])(=[O:14])[C:11]([CH3:13])=[CH2:12].C1(C(N)C2CCCCC2)CCCCC1>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].C1(C)C=CC([B-](C2C=CC(C)=CC=2)(C2C=CC(C)=CC=2)C2C=CC(C)=CC=2)=CC=1.C([PH+](C(C)(C)C)C(C)(C)C)(C)(C)C.O1CCOCC1>[CH3:16][O:15][C:10](=[O:14])/[C:11](/[CH3:13])=[CH:12]/[C:2]1[C:7]([CH3:8])=[CH:6][CH:5]=[CH:4][C:3]=1[CH3:9] | 1 |
C(C)(C)C=1C=C(C=O)C=C(C1O)C(C)C.N1=C(C=CC=C1)S(=O)(=O)CC#N>O.CCO[H].N1CCCCC1>C(C)(C)C=1C=C(C=C(C1O)C(C)C)/C=C(\C#N)/S(=O)(=O)C1=NC=CC=C1 | 3 |
Br[C:2]1[S:3][CH:4]=[CH:5][N:6]=1.C([Li])CCC.CCCCCC.[O:18]1[C:22]2[CH:23]=[CH:24][CH:25]=[CH:26][C:21]=2[CH:20]=[C:19]1[CH:27]=[N:28][S:29]([C:32]1[CH:42]=[CH:41][C:35]2[O:36][CH2:37][CH2:38][CH2:39][O:40][C:34]=2[CH:33]=1)(=[O:31])=[O:30]>O1CCCC1.O>[O:18]1[C:22]2[CH:23]=[CH:24][CH:25]=[CH:26][C:21]=2[CH:20]=[C:19]1[CH:27]([C:2]1[S:3][CH:4]=[CH:5][N:6]=1)[NH:28][S:29]([C:32]1[CH:42]=[CH:41][C:35]2[O:36][CH2:37][CH2:38][CH2:39][O:40][C:34]=2[CH:33]=1)(=[O:30])=[O:31] | 2 |
ClC1=NC(=C(C(=N1)Cl)Cl)C1CC1>N(C)(C)C=O.O.N.C(C)(C)N(C(C)C)CC>ClC1=NC(=C(C(=N1)N)Cl)C1CC1 | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.N[C@@]12CN(C[C@H]2CC(C1)=C)[C@H](C)C1=CC=CC=C1>>C(C)(C)(C)OC(=O)N[C@@]12CN(C[C@H]2CC(C1)=C)[C@H](C)C1=CC=CC=C1 | 5 |
CN.ClC1=C2C(=NC=C1C=O)NC=C2>>CNC1=C2C(=NC=C1C=O)NC=C2 | 5 |
[OH:1][CH2:2][CH2:3][CH2:4][CH2:5][N:6]1[CH:10]=[CH:9][C:8]([NH:11][C:12]([NH:14][CH2:15][C:16]([F:19])([F:18])[F:17])=S)=[N:7]1.[NH3:20]>>[OH:1][CH2:2][CH2:3][CH2:4][CH2:5][N:6]1[CH:10]=[CH:9][C:8]([NH:11][C:12]([NH2:20])=[N:14][CH2:15][C:16]([F:19])([F:18])[F:17])=[N:7]1 | 1 |
ClC1=NC2=C(SC3=C1C=CC=C3)C=CC=C2.FC(C(=O)NCC1N(CCNC1)CCOCCO)(F)F>>C1=CC=CC2=C1C(=NC1=C(S2)C=CC=C1)N1CC(N(CC1)CCOCCO)CNC(C(F)(F)F)=O | 5 |
NC[C@@]1([C@H]2C=C(C[C@H]2C1)C(C)C)CC(=O)OC(C)(C)C>>NC[C@@]1([C@H]2C=C(C[C@H]2C1)C(C)C)CC(=O)O | 5 |
FC1(OC2=C(O1)C=CC=C2CN2C(=NC1=C2C=CC(=C1)C(=O)NCC1=NC=C(C=C1)S(=O)(=O)CC)C(F)(F)F)F>ClCCl.ClC=1C=C(C(=O)OO)C=CC1>FC1(OC2=C(O1)C=CC=C2CN2C(=NC1=C2C=CC(=C1)C(=O)NCC1=[N+](C=C(C=C1)S(=O)(=O)CC)[O-])C(F)(F)F)F | 3 |
[OH:1][CH:2]1[O:21][C@H:20]([CH2:22][OH:23])[C@@H:7]([O:8][C@@H:9]2[O:17][C@H:16]([CH2:18][OH:19])[C@H:14]([OH:15])[C@H:12]([OH:13])[C@H:10]2[OH:11])[C@H:5]([OH:6])[C@H:3]1[OH:4].O.O[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O>>[OH:1][C@H:2]1[O:21][C@H:20]([CH2:22][OH:23])[C@@H:7]([O:8][C@@H:9]2[O:17][C@H:16]([CH2:18][OH:19])[C@H:14]([OH:15])[C@H:12]([OH:13])[C@H:10]2[OH:11])[C@H:5]([OH:6])[C@H:3]1[OH:4] | 1 |
OCC=1C=C(C=CC1C)B(O)O.CN1N=NC=2C1=NC=C(C2C)/C=C/C(=O)OCC>O.CCN(CC)CC.O1CCOCC1.Cl[Rh].Cl[Rh].C1CC=CCCC=C1.C2CC=CCCC=C2>CN1N=NC=2C1=NC=C(C2C)C(CC(=O)OCC)C2=CC(=C(C=C2)C)CO | 3 |
CC(C(=O)C1=CN(C2=NC=C(N=C21)N2C(CCC1=CC=CC=C21)=O)COCC[Si](C)(C)C)(C)C>>[NH4+].[OH-].ClCCl.CC(C(=O)C1=CNC2=NC=C(N=C21)N2C(CCC1=CC=CC=C21)=O)(C)C | 5 |
ClC=1C(=CC(=C(C1)C1=C(C=C2C(=NC(N3C2=C1SC[C@@H]3COCOC)=O)N3[C@H](CN(CC3)C(=O)OC(C)(C)C)C)C(F)(F)F)F)F>CO[H].[HH].[Pd]>FC1=C(C=CC(=C1)F)C1=C(C=C2C(=NC(N3C2=C1SC[C@@H]3COCCOC)=O)N3[C@H](CN[C@@H](C3)C)C)C(F)(F)F | 3 |
OC1CN(CC12CCCC2)C(=O)OC(C)(C)C>>O=C1CN(CC12CCCC2)C(=O)OC(C)(C)C | 5 |
COC(C1=CC(=C(C=C1)N)C=O)=O.ClC1=CC=C(C2=CC=C(C=C2C(C)=O)C(=O)N2CCCC2)C=C1>CCO[H].O1CCOCC1.[OH-].[K+]>ClC1=CC=C(C2=CC=C(C=C2C2=NC3=CC=C(C=C3C=C2)C(=O)O)C(=O)N2CCCC2)C=C1 | 3 |
C1(=CC=C(C=C1)S(=O)(=O)C(C1=CC=C(C=C1)F)[N+]#[C-])C.O=C(\C=N\C1CN(C1)C(=O)OC(C)(C)C)C>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(C)(=O)C1=C(N=CN1C1CN(C1)C(=O)OC(C)(C)C)C1=CC=C(C=C1)F | 3 |
C1N=CN(C(N2C=NC=C2)=O)C=1.[O:13]1[C:17]2([CH2:22][CH2:21][CH:20]([C:23]([OH:25])=O)[CH2:19][CH2:18]2)[O:16][CH2:15][CH2:14]1.C(=O)=O.Cl.[CH3:30][O:31][NH:32][CH3:33]>C(Cl)Cl>[CH3:30][O:31][N:32]([CH3:33])[C:23]([CH:20]1[CH2:19][CH2:18][C:17]2([O:13][CH2:14][CH2:15][O:16]2)[CH2:22][CH2:21]1)=[O:25] | 2 |
[O:1]1CCO[CH:2]1[C:6]1[CH:10]=[CH:9][S:8][C:7]=1[S:11][CH2:12][C:13]([O:15][CH3:16])=[O:14].C1(C)C=CC(S(O)(=O)=O)=CC=1.C(=O)(O)[O-].[Na+].O>CC(C)=O.CCOCC>[CH:2]([C:6]1[CH:10]=[CH:9][S:8][C:7]=1[S:11][CH2:12][C:13]([O:15][CH3:16])=[O:14])=[O:1] | 1 |
[Cl:1][C:2]1[CH:3]=[N:4][CH:5]=[C:6]([Cl:26])[C:7]=1[NH:8][C:9]([C:11]1[C:12]2[N:13]([N:19]=[C:20]([C:22]([F:25])([F:24])[F:23])[CH:21]=2)[C:14]([CH2:17][OH:18])=[CH:15][CH:16]=1)=[O:10].C(N(CC)CC)C>CS(C)=O.O>[Cl:1][C:2]1[CH:3]=[N:4][CH:5]=[C:6]([Cl:26])[C:7]=1[NH:8][C:9]([C:11]1[C:12]2[N:13]([N:19]=[C:20]([C:22]([F:23])([F:25])[F:24])[CH:21]=2)[C:14]([CH:17]=[O:18])=[CH:15][CH:16]=1)=[O:10] | 2 |
FC1=CC=C(C=C1)S(=O)(=O)N1CCC1.OC=1C=C(C=C(C1)O[C@H](COC)C)C=1N(C(=CC1)C=1SC=CN1)C(=O)OC(C)(C)C>>N1(CCC1)S(=O)(=O)C1=CC=C(OC=2C=C(C=C(C2)O[C@H](COC)C)C2=CC=C(N2)C=2SC=CN2)C=C1 | 5 |
FC=1C=C(C=NC1)N>N(C)(C)C=O.O.BrN1C(CCC1=O)=O.C(C)(=O)OCC>BrC1=C(C=C(C=N1)N)F | 3 |
C(C)OC(=O)C1=NN(C=C1[N+](=O)[O-])CC1=CC=C(C=C1)OC>CCO[H].[HH].[Pd]>C(C)OC(=O)C1=NN(C=C1N)CC1=CC=C(C=C1)OC | 3 |
[C:1](=O)([O-])[O-].[K+].[K+].[CH:7]1([NH2:13])[CH2:12][CH2:11][CH2:10][CH2:9][CH2:8]1.[CH:14]1[C:23]2[C:18](=[CH:19][CH:20]=[CH:21][CH:22]=2)[CH:17]=[CH:16][C:15]=1[O:24][CH2:25][CH2:26][CH2:27]CCl>CS(C)=O.O>[CH:7]1([NH:13][CH2:27][CH2:26][CH:25]([O:24][C:15]2[CH:16]=[CH:17][C:18]3[C:23](=[CH:22][CH:21]=[CH:20][CH:19]=3)[CH:14]=2)[CH3:1])[CH2:12][CH2:11][CH2:10][CH2:9][CH2:8]1 | 1 |
BrC1C=CC2OC3C(=O)NC(C4CCN(C(OC(C)(C)C)=O)CC4)=NC=3C=2C=1.[NH2:29][C:30]([C:32]1[O:33][C:34]2[CH:55]=[CH:54][C:53]([O:56][CH3:57])=[CH:52][C:35]=2[C:36]=1[NH:37][C:38]([C@H:40]1[CH2:44][CH2:43][CH2:42][N:41]1[C:45]([O:47][C:48]([CH3:51])([CH3:50])[CH3:49])=[O:46])=O)=[O:31].BrC1C=CC2OC(C(=O)N)=C(NC(C3CCN(C(OC(C)(C)C)=O)CC3)=O)C=2C=1>>[CH3:57][O:56][C:53]1[CH:54]=[CH:55][C:34]2[O:33][C:32]3[C:30](=[O:31])[NH:29][C:38]([C@H:40]4[CH2:44][CH2:43][CH2:42][N:41]4[C:45]([O:47][C:48]([CH3:49])([CH3:51])[CH3:50])=[O:46])=[N:37][C:36]=3[C:35]=2[CH:52]=1 | 2 |
N1CCC(=CC1)C1=CNC2=CC=CC=C12>>N1CCC(CC1)C1=CNC2=CC=CC=C12 | 5 |
N1=C(C=CC=C1)C1=NOC(=C1)C1=NC(=NO1)C1=CC=C(C=C1)C>>BrC=1C(=NOC1C1=NC(=NO1)C1=CC=C(C=C1)C)C1=NC=CC=C1 | 5 |
COC(CNC)OC.COC(C)C1=NN=C(S1)N=C=O>C(C)OCC.C1=CC=CC=C1.CCCCCC>COC(C)C1=NN=C(S1)NC(N(CC(OC)OC)C)=O | 3 |
[CH3:1][C:2]1[C:10]2[N:9](S(C3C=CC(C)=CC=3)(=O)=O)[CH:8]=[CH:7][C:6]=2[C:5]([C:21]([C:23]2[N:27](COCC[Si](C)(C)C)[C:26]3[CH:36]=[CH:37][C:38]([C:40]#[N:41])=[CH:39][C:25]=3[N:24]=2)=[O:22])=[C:4]([C:42]([F:45])([F:44])[F:43])[CH:3]=1.[CH3:46]C1C2N(S(C3C=CC(C)=CC=3)(=O)=O)C=CC=2C(C(C2N(COCC[Si](C)(C)C)C3C=C(C#N)C=CC=3N=2)=O)=C(C(F)(F)F)C=1>>[OH:22][C:21]([C:23]1[NH:27][C:26]2[CH:36]=[CH:37][C:38]([C:40]#[N:41])=[CH:39][C:25]=2[N:24]=1)([C:5]1[C:4]([C:42]([F:43])([F:44])[F:45])=[CH:3][C:2]([CH3:1])=[C:10]2[C:6]=1[CH:7]=[CH:8][NH:9]2)[CH3:46] | 1 |
C(C)(C)(C)OC(=O)N([C@@H](C)C(=O)O)C.NC=1C=CC(=C(C1)NS(=O)(=O)C1=CC=C(C=C1)Br)OC>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21>BrC1=CC=C(C=C1)S(=O)(=O)NC=1C=C(C=CC1OC)NC([C@H](C)N(C(OC(C)(C)C)=O)C)=O | 3 |
BrCC1CC1.C(C1=CC=CC=C1)N1C[C@H](N(CC1)C(=O)OC(C)(C)C)CCO>N(C)(C)C=O.[H-].[Na+]>C(C1=CC=CC=C1)N1C[C@H](N(CC1)C(=O)OC(C)(C)C)CCOCC1CC1 | 3 |
[C:1](=O)=O.[C:4](#N)[CH3:5].[CH2:7]([Mg]Br)[CH3:8].[O:11]=[C:12]([CH:14]=C(C)C)[CH3:13].[Cl-].[NH4+]>CCOCC>[CH3:1][C:4]([CH3:5])([CH2:7][CH3:8])[CH2:13][C:12](=[O:11])[CH3:14] | 1 |
C1(CC1)CN1CC2=CC=CC(=C2CC1C)[N+](=O)[O-]>CO[H].[HH].[Pd]>C1(CC1)CN1CC=2C=CC=C(C2CC1C)N | 3 |
C(C)(C)(C)OC(=O)N[C@@H](C(=O)O)CC1=NC=C(C=C1)C(F)(F)F>ClCCl.C(=O)(C(F)(F)F)O>N[C@@H](C(=O)O)CC1=NC=C(C=C1)C(F)(F)F | 3 |
CI.COC(C1=CC(=NC(=C1)NS(=O)(=O)C)N[C@@H](C)CC)=O>N(C)(C)C=O.[H-].[Na+]>COC(C1=CC(=NC(=C1)N(C)S(=O)(=O)C)N[C@@H](C)CC)=O | 3 |
[CH3:1][N:2]1[C@@H:18]2[CH2:19][C:7]3[CH:8]=[CH:9][C:10]([O:21][CH3:22])=[C:11]4[O:12][C@H:13]5[C@@H:14]([OH:20])[CH:15]=[CH:16][C@@H:17]2[C@:5]5([C:6]=34)[CH2:4][CH2:3]1>CCO>[CH3:1][N:2]1[C@@H:18]2[CH2:19][C:7]3[CH:8]=[CH:9][C:10]([O:21][CH3:22])=[C:11]4[O:12][C@H:13]5[C:14]([CH2:15][CH2:16][C@@H:17]2[C@:5]5([C:6]=34)[CH2:4][CH2:3]1)=[O:20] | 1 |
C(C)(C)OC(=O)N1CCC(CC1)ON=C1CCN(CC1)C1=C(C=C(C(=C1)F)C(=O)O)F>>C(C)(C)OC(=O)N1CCC(CC1)ON=C1CCN(CC1)C1=C(C=C(C(=C1)F)C(N(C)C)=O)F | 5 |
[OH:1][C@H:2]1[CH2:19][CH2:18][C@@:17]2([CH3:20])[C@@H:4]([CH2:5][CH2:6][C@:7]3([CH3:38])[C@@H:16]2[CH2:15][CH2:14][C@H:13]2[C@@:8]3([CH3:37])[CH2:9][CH2:10][C@@:11]3([C:27]([O:29][CH2:30][C:31]4[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=4)=[O:28])[CH2:23][CH2:22][C@@H:21]([C:24]([CH3:26])=[CH2:25])[C@@H:12]32)[C:3]1([CH3:40])[CH3:39].C1C=C[NH+]=CC=1.[O-][Cr](Cl)(=O)=O>ClCCl>[CH3:37][C@:8]12[C@@:7]3([CH3:38])[C@@H:16]([C@:17]4([CH3:20])[C@@H:4]([CH2:5][CH2:6]3)[C:3]([CH3:39])([CH3:40])[C:2](=[O:1])[CH2:19][CH2:18]4)[CH2:15][CH2:14][C@@H:13]1[C@H:12]1[C@H:21]([C:24]([CH3:26])=[CH2:25])[CH2:22][CH2:23][C@:11]1([C:27]([O:29][CH2:30][C:31]1[CH:32]=[CH:33][CH:34]=[CH:35][CH:36]=1)=[O:28])[CH2:10][CH2:9]2 | 1 |
C1(=CC=CC=C1)[C@@H](CNC1=CC=C(C=C1)CCNC(=O)OC(C)(C)C)O>>FC(C(=O)O)(F)F.C1(=CC=CC=C1)[C@@H](CNC1=CC=C(C=C1)CCN)O | 5 |
[Br:1][C:2]1[CH:3]=[C:4]([CH:7]=[C:8]([CH2:10]Br)[CH:9]=1)[C:5]#[N:6].[C:12]([O-:23])(=O)[C:13]1[C:14](=[CH:18][CH:19]=[CH:20][CH:21]=1)[C:15]([O-])=[O:16].[K+].[K+].C[N:27](C=O)C>>[Br:1][C:2]1[CH:3]=[C:4]([CH:7]=[C:8]([CH2:10][N:27]2[C:15](=[O:16])[C:14]3[C:13](=[CH:21][CH:20]=[CH:19][CH:18]=3)[C:12]2=[O:23])[CH:9]=1)[C:5]#[N:6] | 1 |
[CH2:1]([O:3][P:4]([CH:9]1[C:13]([P:14]([O:19][CH2:20][CH3:21])([O:16][CH2:17][CH3:18])=[O:15])=[CH:12][S:11][CH2:10]1)([O:6][CH2:7][CH3:8])=[O:5])[CH3:2]>C1C=CC=CC=1.[O-2].[Mn+4].[O-2]>[CH2:17]([O:16][P:14]([C:13]1[C:9]([P:4]([O:3][CH2:1][CH3:2])([O:6][CH2:7][CH3:8])=[O:5])=[CH:10][S:11][CH:12]=1)([O:19][CH2:20][CH3:21])=[O:15])[CH3:18] | 1 |
[OH2:1].[C:2]1([CH3:12])[CH:7]=[CH:6][C:5](S([O-])(=O)=O)=[CH:4][CH:3]=1.[NH+]1C=CC=CC=1.C(N(CC)CC)C.[NH4+].[Cl-].C1[CH2:32][O:31][CH2:30]C1>>[OH:1][CH:30]1[C:7]2[C:2](=[CH:3][CH:4]=[CH:5][CH:6]=2)[CH2:12][CH2:32][O:31]1 | 1 |
C1(CCC1)O.FC1=C2C(C(NC2=CC=C1[N+](=O)[O-])=O)(C)C>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OCC)C(=O)OCC>C1(CCC1)N1C(C(C2=C(C(=CC=C12)[N+](=O)[O-])F)(C)C)=O | 3 |
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O.C(CCCCCCCCCCCCCCCCC)(=O)[O-].[Na+]>>C(CCCCCCCCCCC)(=O)OC | 5 |
[C:1]([O:5][C@@H:6]([C:12]1[C:44]([CH3:45])=[CH:43][C:15]2[N:16]=[C:17]([C:19]3[CH:24]=[CH:23][N:22]=[C:21]([C:25]4[CH:26]=[C:27]5[C:32](=[CH:33][CH:34]=4)[N:31]=[C:30](OS(C(F)(F)F)(=O)=O)[CH:29]=[CH:28]5)[CH:20]=3)[S:18][C:14]=2[C:13]=1[C:46]1[CH:51]=[CH:50][C:49]([Cl:52])=[CH:48][CH:47]=1)[C:7]([O:9][CH2:10][CH3:11])=[O:8])([CH3:4])([CH3:3])[CH3:2].[CH3:53][NH2:54]>C1COCC1>[C:1]([O:5][C@@H:6]([C:12]1[C:44]([CH3:45])=[CH:43][C:15]2[N:16]=[C:17]([C:19]3[CH:24]=[CH:23][N:22]=[C:21]([C:25]4[CH:26]=[C:27]5[C:32](=[CH:33][CH:34]=4)[N:31]=[C:30]([NH:54][CH3:53])[CH:29]=[CH:28]5)[CH:20]=3)[S:18][C:14]=2[C:13]=1[C:46]1[CH:47]=[CH:48][C:49]([Cl:52])=[CH:50][CH:51]=1)[C:7]([O:9][CH2:10][CH3:11])=[O:8])([CH3:4])([CH3:3])[CH3:2] | 1 |
BrC1=C(C=CC(=N1)N)Cl.ClC1=C(C(=O)NC2=CC(=NN2C2=CC=CC=C2)C(=O)N)C=C(C=C1)B1OC(C(O1)(C)C)(C)C>O.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2]>NC1=CC=C(C(=N1)C=1C=CC(=C(C(=O)NC2=CC(=NN2C2=CC=CC=C2)C(=O)N)C1)Cl)Cl | 3 |
C(C#C)OCCOCCNC(OC(C)(C)C)=O.BrC1=CC=NC=2N(C3=CC=CC=C3C21)C2C(NC(CC2)=O)=O>[Cu]I.N(C)(C)C=O.O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Pd+2].C(=O)([O-])[O-].[Cs+].[Cs+]>O=C1NC(CCC1N1C2=C(C3=CC=CC=C13)C(=CC=N2)C#CCOCCOCCNC(OC(C)(C)C)=O)=O | 3 |
C(#N)C1=C(C=CC=C1)S(=O)(=O)Cl.C1(=CC=CC=C1)NC(O[C@H](CN(C(=O)NC(C)C)CCCCNC)COC)=O>ClCCl.CCN(CC)CC>C1(=CC=CC=C1)NC(O[C@H](CN(C(=O)NC(C)C)CCCCN(C)S(=O)(=O)C1=C(C=CC=C1)C#N)COC)=O | 3 |
OCCOC1=C(C(=[N+](C=C1)[O-])C)C>C(Cl)(Cl)(Cl)[H].ClS(Cl)=O.C(O)([O-])=O.[Na+]>ClCCOC1=C(C(=[N+](C=C1)[O-])C)C | 3 |
CO[C:3](=[O:24])[C:4]1[CH:9]=[CH:8][CH:7]=[C:6]([C:10]2[CH:15]=[CH:14][N:13]=[C:12]([CH2:16][O:17][CH:18]3[CH2:23][CH2:22][CH2:21][CH2:20][O:19]3)[CH:11]=2)[CH:5]=1.[C:25]([O:28][C:29]([CH3:32])([CH3:31])[CH3:30])(=[O:27])[CH3:26]>>[C:29]([O:28][C:25](=[O:27])[CH2:26][C:3](=[O:24])[C:4]1[CH:9]=[CH:8][CH:7]=[C:6]([C:10]2[CH:15]=[CH:14][N:13]=[C:12]([CH2:16][O:17][CH:18]3[CH2:23][CH2:22][CH2:21][CH2:20][O:19]3)[CH:11]=2)[CH:5]=1)([CH3:32])([CH3:31])[CH3:30] | 1 |
FC1=CC=C(C=C1)N1N=CC=C(C1=O)C(=O)O.COC1=CC=C(CN2N=C(C=3C2=NC=CC3OC3=C(C=C(C(=C3)Cl)N)F)NC3CCN(CC3)C)C=C1>>COC1=CC=C(CN2N=C(C=3C2=NC=CC3OC3=CC(=C(C=C3F)NC(=O)C=3C(N(N=CC3)C3=CC=C(C=C3)F)=O)Cl)NC3CCN(CC3)C)C=C1 | 5 |
ClC1=CC(=NC(=C1C)C)C(=O)OC>O1CCOCC1.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd].[Pd].B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C(C)(=O)[O-].[K+].P(c2ccccc2c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C3CCCCC3)C4CCCCC4>CC=1C(=CC(=NC1C)C(=O)OC)B1OC(C(O1)(C)C)(C)C | 3 |
COC1=C(C=C(C=C1)O)[N+](=O)[O-].FC1=C(C=C(C=C1)F)F>N(C)(C)C=O.CC(C)(C)[O-].[K+]>FC1=C(OC2=CC(=C(C=C2)OC)[N+](=O)[O-])C=C(C=C1)F | 3 |
ClC1=C2C(=NC=C1)C=C(S2)I>C1CCCO1.C(CCC)[Sn](CCCC)(CCCC)Cl.C(C)(C)[Mg]Cl>ClC1=C2C(=NC=C1)C=C(S2)[Sn](CCCC)(CCCC)CCCC | 3 |
[CH3:1][O:2][C:3](=[O:26])/[C:4](/[C:12]1[CH:17]=[CH:16][C:15]([S:18]([CH3:21])(=[O:20])=[O:19])=[C:14]([C:22]([F:25])([F:24])[F:23])[CH:13]=1)=[CH:5]/[CH:6]1[CH2:11][CH2:10][CH2:9][CH2:8][CH2:7]1.[BH4-].[Na+]>CO.O.O.O.O.O.O.[Ni](Cl)Cl>[CH3:1][O:2][C:3](=[O:26])[CH:4]([C:12]1[CH:17]=[CH:16][C:15]([S:18]([CH3:21])(=[O:19])=[O:20])=[C:14]([C:22]([F:25])([F:24])[F:23])[CH:13]=1)[CH2:5][CH:6]1[CH2:11][CH2:10][CH2:9][CH2:8][CH2:7]1 | 1 |
[C:1]([C:4]1[CH:25]=[CH:24][C:7]([O:8][CH2:9][CH2:10][CH2:11][CH2:12][N:13]2C(=O)C3C(=CC=CC=3)C2=O)=[CH:6][CH:5]=1)(=[O:3])[CH3:2].NN>C(O)C>[NH2:13][CH2:12][CH2:11][CH2:10][CH2:9][O:8][C:7]1[CH:6]=[CH:5][C:4]([C:1](=[O:3])[CH3:2])=[CH:25][CH:24]=1 | 1 |
Cl[C:2]1[CH:7]=[CH:6][C:5]([C:8]2[S:9][CH:10]=[CH:11][C:12]=2[C:13]([NH2:15])=[O:14])=[CH:4][C:3]=1[N+:16]([O-:18])=[O:17].[CH2:19]([O:21][C:22]([C:24]1([C:27]2[CH:32]=[CH:31][C:30](B3OC(C)(C)C(C)(C)O3)=[CH:29][CH:28]=2)[CH2:26][CH2:25]1)=[O:23])[CH3:20].C1(P(C2CCCCC2)C2CCCCC2)CCCCC1.C(=O)([O-])[O-].[Na+].[Na+]>O1CCOCC1.C([O-])(=O)C.[Pd+2].C([O-])(=O)C.O>[CH2:19]([O:21][C:22]([C:24]1([C:27]2[CH:32]=[CH:31][C:30]([C:2]3[CH:7]=[CH:6][C:5]([C:8]4[S:9][CH:10]=[CH:11][C:12]=4[C:13](=[O:14])[NH2:15])=[CH:4][C:3]=3[N+:16]([O-:18])=[O:17])=[CH:29][CH:28]=2)[CH2:25][CH2:26]1)=[O:23])[CH3:20] | 2 |
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