smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(=O)(OC(C)(C)C)N1CCC(CC1)C#N.CCCCCCC.C(C)(C)[N-]C(C)C.[Li+].O1CCCC1.C(C)C1=CC=CC=C1>>C(C)(C)(C)OC(=O)N1CCC(CC1)C(=CC#N)N | 5 |
BrC=1C=C(C(=NC1)C(=O)N(C)OC)I>O.C1CCCO1.CC(C)C[AlH]CC(C)C>BrC=1C=C(C(=NC1)C=O)I | 3 |
F[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[N+:8]([O-:10])=[O:9].[C:11]([N:18]1[CH2:23][CH2:22][NH:21][CH2:20][CH2:19]1)([O:13][C:14]([CH3:17])([CH3:16])[CH3:15])=[O:12]>CCO>[N+:8]([C:3]1[CH:4]=[CH:5][CH:6]=[CH:7][C:2]=1[N:21]1[CH2:20][CH2:19][N:18]([C:11]([O:13][C:14]([CH3:17])([CH3:16])[CH3:15])=[O:12])[CH2:23][CH2:22]1... | 1 |
ClS(=O)(=O)O.C(N)(=O)COC1=C(OCC(=O)N)C=CC=C1>>C(N)(=O)COC1=C(OCC(=O)N)C=CC(=C1)S(=O)(=O)Cl | 5 |
N[C@H]1CN(CC1)C(=O)OC(C)(C)C.ClC1=CC2=C(N=C3C(NC(N=C3N2CCCCCCC(=O)OCC)=O)=O)C=C1C>>C(C)OC(CCCCCCN1C2=C(N=C3C(NC(N=C13)=O)=O)C=C(C(=C2)N[C@H]2CN(CC2)C(=O)OC(C)(C)C)C)=O | 5 |
Cl[CH:2]([C:8]1[CH:13]=[CH:12][CH:11]=[C:10]([F:14])[CH:9]=1)[C:3]1[O:4][CH:5]=[CH:6][N:7]=1.[CH2:15]([CH:17]([CH2:34][CH3:35])[C:18]([NH:20][C:21]1[CH:26]=[CH:25][C:24]([N:27]2[CH2:32][CH2:31][NH:30][CH2:29][CH2:28]2)=[C:23]([F:33])[CH:22]=1)=[O:19])[CH3:16].C([O-])([O-])=O.[Cs+].[Cs+]>CC#N.O>[CH2:34]([CH:17]([CH2:15]... | 2 |
C[O:2][C:3](=[O:16])[C@@H:4]([OH:15])[CH2:5][CH2:6][NH:7][C:8]([O:10][C:11]([CH3:14])([CH3:13])[CH3:12])=[O:9].O.[OH-].[Li+:19].O>CO>[C:11]([O:10][C:8]([NH:7][CH2:6][CH2:5][C@H:4]([OH:15])[C:3]([O-:16])=[O:2])=[O:9])([CH3:14])([CH3:12])[CH3:13].[Li+:19] | 1 |
[F:1][C:2]1[CH:3]=[C:4]([C:8]([CH3:16])([CH3:15])[CH2:9][C:10](=[O:14])[C:11]([OH:13])=[O:12])[CH:5]=[CH:6][CH:7]=1.S(=O)(=O)(O)O.[CH2:22](O)[CH3:23]>>[CH2:22]([O:12][C:11](=[O:13])[C:10](=[O:14])[CH2:9][C:8]([C:4]1[CH:5]=[CH:6][CH:7]=[C:2]([F:1])[CH:3]=1)([CH3:16])[CH3:15])[CH3:23] | 1 |
CS(=O)(=O)Cl.O=C1NC(CCC1N1C(C2=CC=CC(=C2C1=O)NCCOCCOCCO)=O)=O>ClCCl.CCN(CC)CC>CS(=O)(=O)OCCOCCOCCNC1=C2C(N(C(C2=CC=C1)=O)C1C(NC(CC1)=O)=O)=O | 3 |
C(C)(C)(C)OC([C@H](NC(=O)OC(C)(C)C)CC(=O)O)=O>[Na+].[BH4-].CCN(CC)CC.ClC(=O)OCC>C(C)(C)(C)OC([C@@H](CCO)NC(=O)OC(C)(C)C)=O | 3 |
S(Cl)(Cl)=[O:2].C(=O)(O[CH2:10][O:11][C:12](=[O:15])[CH2:13][CH3:14])SCC.[CH2:17]([Cl:19])Cl>>[C:12]([O:11][CH2:10][C:17]([Cl:19])=[O:2])(=[O:15])[CH2:13][CH3:14] | 1 |
NC(C1=CC=CC=C1)C1=CC=CC=C1.C[C@@H](C(=O)O)NC(=O)OC(C)(C)C>N(C)(C)C=O.OC1=CC=CC=2NN=NC21.Cl.CN(CCCN=C=NCC)C>C1(=CC=CC=C1)C(C1=CC=CC=C1)NC([C@H](C)NC(OC(C)(C)C)=O)=O | 3 |
Cl.C(C)N(CCCl)CC.C(C)(=O)NC1=C(C2=C(S1)C(=C(C=C2)Br)O)C(=O)OCC>>C(C)(=O)NC1=C(C2=C(S1)C(=C(C=C2)Br)OCCN(CC)CC)C(=O)OCC | 5 |
COC1=CC=C(CN2N=NC(=C2C(=O)OCC)C(C2=C(C=C(C(=C2)OC)OC)[N+](=O)[O-])=O)C=C1.COC1=CC=C(CN2N=NC(=C2C(C2=C(C=C(C(=C2)OC)OC)[N+](=O)[O-])=O)C(=O)OCC)C=C1>C(=O)(C(F)(F)F)O.C1(=CC=CC=C1)OC>COC1=CC(=C(C(=O)C2=C(N=NN2)C(=O)OCC)C=C1OC)[N+](=O)[O-] | 3 |
CI.NC1=CC=C2C(=NN(C2=C1)C(C1=C(C=CC=C1C(F)(F)F)Cl)=O)C1=C(C=C(C(=O)OC)C=C1)F>>ClC1=C(C(=O)N2N=C(C3=CC=C(C=C23)NC)C2=C(C=C(C(=O)OC)C=C2)F)C(=CC=C1)C(F)(F)F | 5 |
[Br:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][C:9]=1[O:10][CH2:11][C:12]([CH3:14])=[CH2:13])[CH:5]=O.[N:15]([CH2:18][C:19]([O:21][CH2:22][CH3:23])=[O:20])=[N+:16]=[N-:17].CC[O-].[Na+].O>CCO>[N:15]([C:18](=[CH:5][C:4]1[CH:7]=[CH:8][C:9]([O:10][CH2:11][C:12]([CH3:14])=[CH2:13])=[C:2]([Br:1])[CH:3]=1)[C:19]([O:21][CH2:22][CH3:23... | 2 |
[Li+].C[Si]([N-:6][Si](C)(C)C)(C)C.[CH3:11][O:12][C:13]1[N:18]=[C:17]([CH:19]=O)[CH:16]=[CH:15][CH:14]=1.[N:21]1[CH:26]=[CH:25][CH:24]=[C:23]([CH2:27][C:28]2[CH:29]=[N:30][CH:31]=[CH:32][CH:33]=2)[CH:22]=1>C1COCC1>[CH3:11][O:12][C:13]1[N:18]=[C:17]([CH:19]([NH2:6])[CH:27]([C:28]2[CH:29]=[N:30][CH:31]=[CH:32][CH:33]=2)[... | 1 |
C(C)(C)(C)C1=CC=C(C=C1)N(C(=O)[C@@H]1N(C[C@@H](C1)O)C(=O)OC(C)(C)C)C(C(NC1CCOCC1)=O)C=1C=NC=CC1>>C(C)(C)(C)C1=CC=C(C=C1)N(C(=O)[C@@H]1NC[C@@H](C1)O)C(C(NC1CCOCC1)=O)C=1C=NC=CC1 | 5 |
BrC=1C(=NN(C1C(=O)OCC)C)CN1CCOCC1>O.C1CCCO1.[OH-].[Na+].[H-].[Al+3].[Li+].[H-].[H-].[H-]>BrC=1C(=NN(C1CO)C)CN1CCOCC1 | 3 |
[NH2:1][C:2]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][C:9]=2[OH:11])[NH:4][N:3]=1.[ClH:12].C(OCC)C>C(O)C>[ClH:12].[NH2:1][C:2]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][C:9]=2[OH:11])[NH:4][N:3]=1 | 1 |
BrCCCC(=O)OCC.NC(C1=CC=CC=C1)C1=CC=CC=C1>C(C)OCC.C1CCCCC1>C(C1=CC=CC=C1)(C1=CC=CC=C1)NCCCC(=O)OCC | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[NH:9][C:10]3[N:11]([N:15]=[C:16]([O:20][CH3:21])[C:17]=3[C:18]#[N:19])[C:12](=[O:14])[CH:13]=2)=[CH:4][CH:3]=1.S(=O)(=O)(O)[OH:23]>>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[NH:9][C:10]3[N:11]([N:15]=[C:16]([O:20][CH3:21])[C:17]=3[C:18]([NH2:19])=[O:23])[C:12](=[O:14])[CH:13]=2)=[CH:4]... | 2 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:23]=[CH:24][C:25]=1[Cl:26])[CH2:5][N:6]1[C:18](=[O:19])[C:17]2[C:8](=[C:9]([OH:21])[C:10]3[N:11]=[CH:12][CH:13]=[N:14][C:15]=3[C:16]=2[OH:20])[C:7]1=[O:22].[C:27](O)(=[O:45])[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:... | 2 |
[OH:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[O:8][CH2:9][CH2:10][CH2:11][CH2:12][CH3:13]>C(C(C)=O)C(C)C>[OH:1][CH2:2][CH2:3][CH2:4][O:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[O:8][CH2:9][CH2:10][CH2:11][CH2:12][CH3:13] | 1 |
[C:1]([C:4]1[C:5]([Cl:28])=[C:6]([NH:12][C:13]2[N:18]=[C:17]([NH:19][CH:20]3[CH2:22][CH2:21]3)[C:16]3=[N:23][CH:24]=[C:25]([C:26]#[N:27])[N:15]3[N:14]=2)[CH:7]=[C:8]([C:10]#[N:11])[CH:9]=1)(=[O:3])[CH3:2].[CH3:29][Mg+].[Br-]>>[Cl:28][C:5]1[C:4]([C:1]([OH:3])([CH3:29])[CH3:2])=[CH:9][C:8]([C:10]#[N:11])=[CH:7][C:6]=1[NH... | 1 |
CO[C@@H]1[C@@H](CN(CC1)C(=O)OC(C)(C)C)C>>FC(C(=O)O)(F)F.CO[C@@H]1[C@@H](CNCC1)C | 5 |
[Na].[NH:2]1[CH:6]=[CH:5][N:4]=[N:3]1.Br[CH2:8][C:9]([O:11][CH2:12][CH3:13])=[O:10]>C(O)C>[CH2:12]([O:11][C:9](=[O:10])[CH2:8][N:2]1[CH:6]=[CH:5][N:4]=[N:3]1)[CH3:13] | 1 |
C(C)SC=1C(=NC=CC1)C(=O)O.NC=1C(=NC=C(C1)S(=O)C(F)(F)F)O>>C(C)SC=1C(=NC=CC1)C(=O)NC=1C(=NC=C(C1)S(=O)C(F)(F)F)O | 5 |
CC1(CC1)C1=NC(=NC=C1C(=O)NC1C2CC3CC(CC1C3)(C2)OCC2=CC=CC=C2)SC>ClCCl.ClC=1C=C(C(=O)OO)C=CC1>COC1=NC=C(C(=N1)C1(CC1)C)C(=O)NC1C2CC3CC(CC1C3)(C2)OCC2=CC=CC=C2.OC1=NC=C(C(=N1)C1(CC1)C)C(=O)NC1C2CC3CC(CC1C3)(C2)OCC2=CC=CC=C2 | 3 |
BrC=1C=NC=CC1Cl>O1CCOCC1.O.NN>BrC=1C=NC=CC1NN | 3 |
ClC1=CC=C2C(=C(NC2=C1B1OC(C(O1)(C)C)(C)C)C(=O)OCC)CCCOC1=CC=CC2=CC=CC=C12.BrC=1C(=NN(C1CC)C)C=CCCCCO>O.O1CCOCC1.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].CC(C1=CC(C(C)C)=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=C1)C.NC5=C(C=CC=C5)C6=C(C=CC=C6)[Pd]OS(C)(=O)=O>C(C)OC(=O)C=1NC2=C(C(=CC=C2C1CCCOC1=CC=CC2=CC=CC=C12)Cl)C=1C(=NN(... | 3 |
C(C1=CC=CC=C1)N.FC1=C(C=CC(=C1)F)[N+](=O)[O-]>>C(C1=CC=CC=C1)NC1=C(C=CC(=C1)F)[N+](=O)[O-] | 5 |
N1=CC(=CC2=CC=CC=C12)B(O)O.FC(S(=O)(=O)OC1=C2C(=NNC2=CC=C1)C)(F)F>>CC1=NNC2=CC=CC(=C12)C=1C=NC2=CC=CC=C2C1 | 5 |
[NH:1]1[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[CH:3]=[C:2]1[S:10]([NH2:13])(=[O:12])=[O:11].C(N(CC)CC)C.C1(O[C:28](Cl)=[O:29])C=CC=CC=1.[NH2:31][C:32]1[S:33][C:34]([Br:37])=[CH:35][N:36]=1>C(#N)C>[Br:37][C:34]1[S:33][C:32]([NH:31][C:28]([NH:13][S:10]([C:2]2[NH:1][C:9]3[C:4]([CH:3]=2)=[CH:5][CH:6]=[CH:7][CH:8]=3)(=[O:... | 1 |
COCCNC.ClC=1C=C(C=CC1)C#CC1=NOC2C1CCN2C(=O)Cl>ClCCl.CCN(CC)CC>ClC=1C=C(C=CC1)C#CC1=NOC2C1CCN2C(=O)N(C)CCOC | 3 |
COC=O.ClCC#N>C[O-].[Na+].COC1CCCC1>ClC(=C[O-])C#N.[Na+] | 3 |
[CH3:1][N:2]([CH3:21])[C:3]([C:5]1[N:14]([CH:15]2[CH2:20][CH2:19][CH2:18][CH2:17][CH2:16]2)[C:8]2[N:9]=[C:10](Cl)[N:11]=[CH:12][C:7]=2[CH:6]=1)=[O:4].[CH3:22][O:23][C:24](=[O:32])[C:25]1[CH:30]=[CH:29][C:28]([NH2:31])=[N:27][CH:26]=1>>[CH3:22][O:23][C:24](=[O:32])[C:25]1[CH:30]=[CH:29][C:28]([NH:31][C:10]2[N:11]=[CH:12... | 1 |
C([Li])CCC.[Br-].[OH:7][C:8]1[CH:33]=[CH:32][CH:31]=[CH:30][C:9]=1[CH2:10][P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.[F:34][C:35]1[CH:36]=[C:37]([CH:52]=[C:53]([F:66])[C:54]=1[O:55][Si:56]([CH:63]([CH3:65])[CH3:64])([CH:60]([CH3:62])[CH3:61])[CH:57]([CH3:59])[CH3:58])[CH2:38][CH:39]([CH:50]=O)[CH2:40][CH2:41][C:42]1[CH:... | 1 |
C(C1=CC=CC=C1)OC=1C=C(C=CC1)[C@H](C(C(=O)OC(C)(C)C)C(=O)OC)NC(=O)OC(C)(C)C>C(=O)O>N[C@@H](C(C(=O)OC(C)(C)C)C(=O)OC)C1=CC(=CC=C1)OCC1=CC=CC=C1 | 3 |
O=S1(N(CCC1)C1=CC=C(C#N)C=C1)=O>CCN(CC)CC.CCO[H].Cl.NO>O=S1(N(CCC1)C1=CC=C(C(=N)NO)C=C1)=O | 3 |
[N:1]([CH2:4][C:5]1([OH:20])[CH2:10][CH2:9][N:8]([C:11]2[N:15]([CH3:16])[N:14]=[CH:13][C:12]=2[N+:17]([O-:19])=[O:18])[CH2:7][CH2:6]1)=[N+:2]=[N-:3].[CH2:21](C1C(=O)CCN(C2N(C)N=CC=2[N+]([O-])=O)C1)[CH3:22]>>[N:1]([CH2:4][C:5]1([OH:20])[CH2:10][CH2:9][N:8]([C:11]2[N:15]([CH3:16])[N:14]=[CH:13][C:12]=2[N+:17]([O-:19])=[O... | 2 |
[Cl:1][C:2]1[CH:3]=[N:4][CH:5]=[C:6]([Cl:18])[C:7]=1[CH2:8][S:9][C:10]1[N:15]=[C:14]([NH2:16])[CH:13]=[C:12]([CH3:17])[N:11]=1.C([O-])(O)=O.[Na+].[C:24](OC(=O)C)(=[O:26])[CH3:25]>>[Cl:18][C:6]1[CH:5]=[N:4][CH:3]=[C:2]([Cl:1])[C:7]=1[CH2:8][S:9][C:10]1[N:15]=[C:14]([NH:16][C:24](=[O:26])[CH3:25])[CH:13]=[C:12]([CH3:17])... | 1 |
[OH:1][CH2:2][CH2:3][CH2:4][C:5]1[CH:14]=[C:13]2[C:8]([CH:9]=[C:10]([C:16]3[CH:17]=[CH:18][C:19]4[N:20]([CH:22]=[C:23]([CH3:25])[N:24]=4)[CH:21]=3)[C:11](=[O:15])[O:12]2)=[CH:7][CH:6]=1.C(N(C(C)C)CC)(C)C.[CH3:35][S:36](Cl)(=[O:38])=[O:37]>C(Cl)Cl>[CH3:35][S:36]([O:1][CH2:2][CH2:3][CH2:4][C:5]1[CH:14]=[C:13]2[C:8]([CH:9... | 2 |
FC1(C(C1)C(=O)O)F.NC1=CC(=C(N=N1)C(=O)NC([2H])([2H])[2H])NC1=C(C(=CC=C1)C1=NN(N=C1)C)OC>N(C)(C)C=O.CCN(CC)CC.CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC>FC1(C(C1)C(=O)NC1=CC(=C(N=N1)C(=O)NC([2H])([2H])[2H])NC1=C(C(=CC=C1)C1=NN(N=C1)C)OC)F | 3 |
OC1=NC=NC(=C1)O.Cl\C(=C/C1=CC=C(C=C1)CC)\[N+](=O)[O-]>>C(C)C1=CC=C(C=C1)C1=COC=2N=CNC(C21)=O | 5 |
C(C1=CC=CC=C1)OC1=CC=C(C=C1)O.ICCCC(F)(F)F>C([O-])([O-])=O.[K+].[K+].CN1C(CCC1)=O>C(C1=CC=CC=C1)OC1=CC=C(C=C1)OCCCC(F)(F)F | 3 |
CN1N=CC(=C1O)C(C1=C(C(=C(C=C1)S(=O)(=O)C)C1=NOCC1)C)=O.CCSC(=O)Cl>>CC1=C(C=CC(=C1C1=NOCC1)S(=O)(=O)C)C(=O)C=1C=NN(C1OC(=O)SCC)C | 5 |
[Cl:1][C:2]1[C:3]([N:13]([CH3:15])[CH3:14])=[CH:4][C:5]([O:11][CH3:12])=[C:6]([CH:10]=1)[C:7]([OH:9])=O.[NH2:16][CH:17]1[CH2:21][CH2:20][N:19]([CH2:22][C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)[CH2:18]1>>[CH2:22]([N:19]1[CH2:20][CH2:21][CH:17]([NH:16][C:7](=[O:9])[C:6]2[CH:10]=[C:2]([Cl:1])[C:3]([N:13]([CH3:15])[C... | 1 |
[C:1]1(=O)[CH2:4][CH2:3][CH2:2]1.[C:6]([O:10][C:11]([NH:13][NH2:14])=[O:12])([CH3:9])([CH3:8])[CH3:7]>CCCCCC>[C:6]([O:10][C:11]([NH:13][N:14]=[C:1]1[CH2:4][CH2:3][CH2:2]1)=[O:12])([CH3:9])([CH3:8])[CH3:7] | 1 |
CI.C(C)(C)(C)OC(N[C@H]1COC2=C(NC1=O)C=C(C=C2)F)=O>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+]>C(C)(C)(C)OC(N[C@H]1COC2=C(N(C1=O)C)C=C(C=C2)F)=O | 3 |
C1(CC1)C=1C=C(C=C2C(CCC(C12)=O)(C)C)O>>C1(CC1)C1=CC(=CC=2C(CCC(C12)=O)(C)C)OS(=O)(=O)C(F)(F)F | 5 |
[CH3:1][S:2](Cl)(=[O:4])=[O:3].[N+:6]([C:9]1[CH:14]=[CH:13][C:12]([NH2:15])=[CH:11][CH:10]=1)([O-])=O>C(Cl)Cl.N1C=CC=CC=1>[NH2:6][C:9]1[CH:14]=[CH:13][C:12]([NH:15][S:2]([CH3:1])(=[O:4])=[O:3])=[CH:11][CH:10]=1 | 1 |
C(CC)N.CC1=C(C=C(C(=O)O)C=C1)B1OC(C(O1)(C)C)(C)C>>CC1=C(C=C(C(=O)NCCC)C=C1)B1OC(C(O1)(C)C)(C)C | 5 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([NH2:8])=[CH:4][C:3]=1[C:9]1[O:10][C:11]2[CH:17]=[CH:16][C:15]([Cl:18])=[CH:14][C:12]=2[N:13]=1.N1C=CC=CC=1.Cl[C:26]([O:28][CH3:29])=[O:27]>C(Cl)(Cl)Cl>[CH3:29][O:28][C:26](=[O:27])[NH:8][C:5]1[CH:6]=[CH:7][C:2]([Cl:1])=[C:3]([C:9]2[O:10][C:11]3[CH:17]=[CH:16][C:15]([Cl:18])=[CH:14][C:12]... | 2 |
C1CCN2C(=NCCC2)CC1.[CH3:12][CH:13]([O:15][C:16]1[CH:23]=[CH:22][C:21]([C:24]2[S:25][C:26]([N:29]3[C:37]([CH3:38])=[C:32]4[CH2:33][NH:34][CH2:35][CH2:36][C:31]4=[N:30]3)=[N:27][N:28]=2)=[CH:20][C:17]=1[C:18]#[N:19])[CH3:14].[C:39]([O:43][C:44]([CH3:47])([CH3:46])[CH3:45])(=[O:42])[CH:40]=[CH2:41]>CN(C=O)C>[C:18]([C:17]1... | 2 |
O[CH2:2][C:3]1[CH:8]=[C:7]([C:9]([O:11][CH3:12])=[O:10])[CH:6]=[CH:5][N:4]=1.[ClH:13]>COC(=O)C>[Cl:13][CH2:2][C:3]1[CH:8]=[C:7]([C:9]([O:11][CH3:12])=[O:10])[CH:6]=[CH:5][N:4]=1 | 1 |
CC1=CC=C(C=C1)S(=O)(=O)OCCOC1=CC=CC=2N1C(=C(N2)C2=C(C=C(C=C2F)O[Si](C)(C)C(C)(C)C)F)NC2=CC1=C(OCCO1)C=C2>>CC1=CC=C(C=C1)S(=O)(=O)OCCOC1=CC=CC=2N1C(=C(N2)C2=C(C=C(C=C2F)O)F)NC2=CC1=C(OCCO1)C=C2 | 5 |
[CH3:1][C:2]1[CH:3]=[C:4]([CH:23]=[CH:24][C:25]=1[O:26][CH2:27][CH2:28][O:29][CH2:30][CH2:31][CH3:32])[O:5][C:6]1[CH:7]=[CH:8][C:9]2[S:15](=[O:17])(=[O:16])[CH2:14][CH2:13][C:12]([C:18]([O:20]C)=[O:19])=[CH:11][C:10]=2[CH:22]=1.C(=O)([O-])[O-].[K+].[K+].O.Cl>O1CCCC1.CO>[CH3:1][C:2]1[CH:3]=[C:4]([CH:23]=[CH:24][C:25]=1[... | 1 |
[NH2:1][C:2]1[NH:7][C:6](=[O:8])[NH:5][C:4](=[O:9])[CH:3]=1.C[Si](C)(C)N[Si](C)(C)C.[CH2:19](Br)[C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1.II.C(=O)([O-])[O-].[Na+].[Na+]>S([O-])([O-])(=O)=O.[NH4+].[NH4+].CO>[NH2:1][C:2]1[NH:7][C:6](=[O:8])[N:5]([CH2:19][C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)[C:4](=[O:9])[CH... | 2 |
Br[C:2]1[CH:3]=[N:4][N:5]([CH2:7][CH2:8][CH2:9][C:10]([N:12]([CH2:14][C:15]2[CH:20]=[C:19]([F:21])[CH:18]=[CH:17][C:16]=2[O:22][CH3:23])[CH3:13])=[O:11])[CH:6]=1.[N:24]1[CH:29]=[CH:28][C:27](B(O)O)=[CH:26][CH:25]=1>>[F:21][C:19]1[CH:18]=[CH:17][C:16]([O:22][CH3:23])=[C:15]([CH:20]=1)[CH2:14][N:12]([CH3:13])[C:10](=[O:1... | 2 |
CC=1C=C(C=CC1CCCCN1N=NC=C1)O.ClCC1=NC(=CC=C1)C1=CC=C(C=C1)OC(F)(F)F>N(C)(C)C=O.[H-].[Na+]>CC=1C=C(OCC2=NC(=CC=C2)C2=CC=C(C=C2)OC(F)(F)F)C=CC1CCCCN1N=NC=C1 | 3 |
C(=C)C(=O)C.NC1=C(C=CC=2C(C3=CC=CC=C3C(C12)=O)=O)N>N(C)(C)C=O.S(O)(O)(=O)=O>CC=1C(=NC=2C=CC3=C(C2N1)C(C1=CC=CC=C1C3=O)=O)C | 3 |
[N:1]([C:4]1[C:9]([F:10])=[CH:8][N:7]=[CH:6][C:5]=1/[CH:11]=[N:12]/[C:13]1[C:18](Cl)=[CH:17][C:16]([N+:20]([O-:22])=[O:21])=[CH:15][C:14]=1[Cl:23])=[N+:2]=[N-:3].[NH2:24][C:25]1C(Cl)=CC([N+]([O-])=O)=CC=1C#N>>[N:1]([C:4]1[C:9]([F:10])=[CH:8][N:7]=[CH:6][C:5]=1/[CH:11]=[N:12]/[C:13]1[C:14]([Cl:23])=[CH:15][C:16]([N+:20]... | 1 |
CN.Cl.NCC1=CC=C(C(=O)OC)C=C1>O.ClCCl.[OH-].[Na+].C(=O)(C=1NC=CN1)C=1NC=CN1.C(C)(C)N(C(C)C)CC>CNC(=O)NCC1=CC=C(C(=O)O)C=C1 | 3 |
[F:1][C:2]1([C:6]2[C:7]([O:15][CH2:16][C:17]([F:20])([F:19])[F:18])=[CH:8][C:9]([C:12]([OH:14])=O)=[N:10][CH:11]=2)[CH2:5][O:4][CH2:3]1.[CH3:21][C:22]1[O:26][N:25]=[C:24]([C:27]([NH2:34])([CH3:33])[CH2:28][S:29]([CH3:32])(=[O:31])=[O:30])[N:23]=1.Br>>[F:1][C:2]1([C:6]2[C:7]([O:15][CH2:16][C:17]([F:20])([F:19])[F:18])=[... | 1 |
[CH3:1][C:2]1[N:7]=[N:6][C:5]([C:8]2[N:12]([C:13]3[CH:14]=[N:15][CH:16]=[CH:17][CH:18]=3)[N:11]=[C:10]([C:19]([O:21]C)=[O:20])[CH:9]=2)=[CH:4][CH:3]=1.[OH-].[Na+].Cl>O1CCCC1.CO>[CH3:1][C:2]1[N:7]=[N:6][C:5]([C:8]2[N:12]([C:13]3[CH:14]=[N:15][CH:16]=[CH:17][CH:18]=3)[N:11]=[C:10]([C:19]([OH:21])=[O:20])[CH:9]=2)=[CH:4][... | 2 |
[CH3:1][N:2]([CH3:28])[C:3]([C:5]1[N:22]([CH:23]2[CH2:27][CH2:26][CH2:25][CH2:24]2)[C:8]2[N:9]=[C:10]([NH:13][C:14]3[CH:19]=[CH:18][C:17]([CH:20]=O)=[CH:16][N:15]=3)[N:11]=[CH:12][C:7]=2[CH:6]=1)=[O:4].[C:29]([O:33][C:34]([N:36]1[CH2:41][CH2:40][NH:39][CH2:38][C@@H:37]1[CH3:42])=[O:35])([CH3:32])([CH3:31])[CH3:30]>>[C:... | 1 |
[CH3:1][N:2]1[C:6]([OH:7])=[CH:5][C:4]([CH:8]([CH3:10])[CH3:9])=[N:3]1.C[O:12][C:13](OC)(OC)[CH3:14]>CO>[OH:7][C:6]1[N:2]([CH3:1])[N:3]=[C:4]([CH:8]([CH3:10])[CH3:9])[C:5]=1[C:13](=[O:12])[CH3:14] | 2 |
[C:1]([NH:7][C@H:8]([C:13]([OH:15])=[O:14])[CH2:9][C:10]([OH:12])=O)(=[O:6])[CH2:2][C:3]([CH3:5])=[O:4]>C(O)(=O)C.C(OC(=O)C)(=O)C>[C:1]([NH:7][C@@H:8]1[C:13](=[O:14])[O:15][C:10](=[O:12])[CH2:9]1)(=[O:6])[CH2:2][C:3]([CH3:5])=[O:4] | 1 |
C(O)=O.[CH3:4][N:5]([CH3:36])[C:6](=[O:35])[O:7][C:8]1[CH:13]=[CH:12][C:11]([CH2:14][CH2:15][NH:16][C:17]([N:19]2[CH2:24][CH2:23][CH:22]([NH:25][C:26]3[CH:31]=[CH:30][C:29]([CH2:32][CH2:33][NH2:34])=[CH:28][CH:27]=3)[CH2:21][CH2:20]2)=[O:18])=[CH:10][CH:9]=1.C([Si]([O:54][C:55]1[CH:60]=[CH:59][C:58]([O:61][CH2:62][CH:6... | 1 |
CI.C(CCC)NC(CC=1C=C2C=CNC2=CC1)=O>N(C)(C)C=O.[H-].[Na+]>C(CCC)NC(CC=1C=C2C=CN(C2=CC1)C)=O | 3 |
[CH3:1][C:2]([CH3:18])([CH3:17])[C@H:3]([N:11]1[CH2:15][CH2:14][NH:13][C:12]1=[O:16])[C:4]([O:6]C(C)(C)C)=[O:5].FC(F)(F)C(O)=O>ClCCl>[CH3:1][C:2]([CH3:18])([CH3:17])[C@H:3]([N:11]1[CH2:15][CH2:14][NH:13][C:12]1=[O:16])[C:4]([OH:6])=[O:5] | 1 |
[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[CH2:7][C:8]([N:10]1[C:18]2[C:13](=[CH:14][C:15]([NH:19][C:20]([C:22]3[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=3[C:28]3[CH:33]=[CH:32][C:31]([C:34]([OH:36])=[O:35])=[CH:30][CH:29]=3)=[O:21])=[CH:16][CH:17]=2)[CH2:12][CH2:11]1)=[O:9].C(=O)([O-])[O-].[K+].[K+].[C:43]([O:49][CH2:50]Cl)(=... | 2 |
[C:1]([C:3]1[NH:7][C:6]([CH2:8][CH2:9][CH3:10])=[N:5][C:4]=1[N:11]1[CH:15]=[CH:14][CH:13]=[C:12]1[C:16]([O:18][CH3:19])=[O:17])#[N:2].C1(C(C2C=CC=CC=2)(C2C=CC=CC=2)[N:27]2[C:31]([C:32]3[CH:37]=[CH:36][CH:35]=[CH:34][C:33]=3[C:38]3[CH:43]=[CH:42][C:41]([CH2:44]Br)=[CH:40][CH:39]=3)=[N:30][N:29]=[N:28]2)C=CC=CC=1>>[C:1](... | 1 |
Cl[C:2]1[CH:3]=[CH:4][C:5]2[N:6]([CH:8]=[C:9]([C:11]([OH:14])([CH3:13])[CH3:12])[N:10]=2)[N:7]=1.[F:15][C:16]1[CH:21]=[C:20]([C:22]([OH:25])([CH3:24])[CH3:23])[CH:19]=[C:18]([F:26])[C:17]=1[C:27]1[S:31][C:30]([NH2:32])=[C:29]([C:33]([NH2:35])=[O:34])[CH:28]=1>>[F:15][C:16]1[CH:21]=[C:20]([C:22]([OH:25])([CH3:24])[CH3:2... | 1 |
C1COCCN1.BrC1=CC=C2C(=NN=C(C2=C1)N[C@H](C)C1=C(C(=CC(=C1)[N+](=O)[O-])C(F)(F)F)C)C>O.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].C(=O)([O-])[O-].[Cs+].[Cs+].C1(CCCCC1)P(C1=C(C=CC=C1)C1=C(C=CC=C1OC(C)C)OC(C)C)C1CCCCC1>CC1=NN=C(C2=CC(=CC=C... | 3 |
C(#N)C=1C=C(C=CC1)N1N=C(C=C1C(=O)OCC)C(C)C>O.C1CCCO1.CCO[H].O[Li].O>C(#N)C=1C=C(C=CC1)N1N=C(C=C1C(=O)O)C(C)C | 3 |
C(C)(C)(C)NC(=O)C1=CN(C2=NC=C(N=C21)Br)COCC[Si](C)(C)C.IC1=NN(C2=NC=CC=C21)C>N(C)(C)C=O.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(CCC)[Sn]([Sn](CCCC)(CCCC)CCCC)(CCCC)CCCC>C(C)(C)(C)NC(=O)C1=CN(C=2C1=NC(=CN2)C2=NN(C1=NC=CC=C12... | 3 |
CN(C)[CH:3]=[CH:4][C:5]([C:7]1[CH:12]=[C:11]([CH3:13])[CH:10]=[CH:9][N:8]=1)=O.[C:15]([NH:17][C:18]([NH2:20])=[NH:19])#[N:16].C[O-].[Na+].Cl>C(O)C.CO>[CH3:13][C:11]1[CH:10]=[CH:9][N:8]=[C:7]([C:5]2[CH:4]=[CH:3][N:20]=[C:18]([NH:17][C:15]#[N:16])[N:19]=2)[CH:12]=1 | 1 |
C1(=CC=CC=C1)OC(NC1=C(C=CC=C1)C)=NC#N.Cl.Cl.CC(C(CNC1=NC2=CC=CC=C2N=C1)N)C>>C(#N)N=C(NC1=C(C=CC=C1)C)NC(CNC1=NC2=CC=CC=C2N=C1)C(C)C | 5 |
Br[C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][C:10]=1[O:11][CH3:12])[C:7](=[O:13])/[C:6](=[CH:14]/[C:15]1[CH:20]=[CH:19][C:18]([S:21][C:22]([F:25])([F:24])[F:23])=[CH:17][CH:16]=1)/[CH2:5]2.[CH3:26][CH:27]1[CH2:32][CH2:31][NH:30][CH2:29][CH2:28]1.C(=O)([O-])[O-].[Cs+].[Cs+].C1C=CC(P(C2C(C3C(P(C4C=CC=CC=4)C4C=CC=CC=4)=CC=C4C=3C=CC... | 1 |
C([O:8][C:9]1[CH:10]=[CH:11][C:12]2[CH:13]3[CH:18]([CH2:19][CH2:20][C:21]=2[CH:22]=1)[CH:17]1[CH2:23][C:24]2[C:28]([C:16]1([CH3:31])[CH2:15][CH2:14]3)=[N:27][NH:26][C:25]=2[CH2:29][OH:30])C1C=CC=CC=1>[Pd].C1COCC1.C(O)C>[OH:30][CH2:29][C:25]1[NH:26][N:27]=[C:28]2[C:24]=1[CH2:23][CH:17]1[CH:18]3[CH:13]([C:12]4[CH:11]=[CH... | 1 |
ClC1(OC(C(OC1(F)Cl)(C(F)(F)F)F)(C(F)(F)F)F)F>N(C)(C)C=O.[Zn].BrCCBr>FC1(OC(=C(OC1(C(F)(F)F)F)F)F)C(F)(F)F | 3 |
C(C1=CC=CC=C1)OC(=O)N1C2=C(CCCC1)C=C(C=C2)N2C(OC(C2)CNC(C)=O)=O>CO[H].O.O.[Pd].[HH]>O=C1OC(CN1C1=CC2=C(NCCCC2)C=C1)CNC(C)=O | 3 |
[F:1][C:2]1([F:10])[CH2:7][C@H:6]2[CH2:8][C@@H:3]1[CH2:4][C@@H:5]2[OH:9].[Cr](Cl)([O-])(=O)=O.[NH+]1C=CC=CC=1>ClCCl>[F:1][C:2]1([F:10])[CH2:7][C@H:6]2[CH2:8][C@@H:3]1[CH2:4][C:5]2=[O:9] | 1 |
[Br:1][C:2]1[CH:10]=[CH:9][CH:8]=[C:7]2[C:3]=1[C:4]([C:11](=[O:16])[C:12]([F:15])([F:14])[F:13])=[CH:5][NH:6]2.[H-].[Na+].[F:19][C:20]([F:33])([F:32])[O:21][CH2:22][CH2:23]OS(C(F)(F)F)(=O)=O>C1COCC1>[Br:1][C:2]1[CH:10]=[CH:9][CH:8]=[C:7]2[C:3]=1[C:4]([C:11](=[O:16])[C:12]([F:14])([F:15])[F:13])=[CH:5][N:6]2[CH2:23][CH2... | 2 |
[NH2:1][CH2:2][C@H:3]1[N:8]([C:9]([C:11]2[N:12]=[C:13]([CH3:23])[S:14][C:15]=2[C:16]2[CH:17]=[C:18]([CH3:22])[CH:19]=[CH:20][CH:21]=2)=[O:10])[CH2:7][C@H:6]2[C@@H:4]1[CH2:5]2.[CH3:24][C:25]1[N:26]2[C:32]([CH3:33])=[C:31]([C:34](O)=[O:35])[N:30]=[C:27]2[S:28][CH:29]=1>>[CH3:23][C:13]1[S:14][C:15]([C:16]2[CH:17]=[C:18]([... | 1 |
C(C)(C)(C)N.C(C1=CC=CC=C1)S(=O)(=O)Cl>>C(C)(C)(C)NS(=O)(=O)CC1=CC=CC=C1 | 5 |
CS(=O)O.CC(C)(C)C=1SC(=C(N1)C=1C(=C(C=CC1)NS(=O)(=O)C1=C(C=CC=C1F)F)F)C1=NC(=NC=C1)C=C>CCO[H].[Na].C(C)(=O)O>CC(C)(C)C=1SC(=C(N1)C=1C(=C(C=CC1)NS(=O)(=O)C1=C(C=CC=C1F)F)F)C1=NC(=NC=C1)CCS(=O)(=O)C | 3 |
[C:1]([C:3]1[O:7][C:6]([C:8](Cl)=[O:9])=[CH:5][CH:4]=1)#[N:2].[CH3:11][N:12]1[CH2:17][CH2:16][N:15]([C:18]2[CH:23]=[CH:22][C:21]([NH2:24])=[C:20]([C:25]3[C:29]([CH3:30])=[CH:28][S:27][CH:26]=3)[CH:19]=2)[CH2:14][CH2:13]1.CCN(C(C)C)C(C)C>>[CH3:11][N:12]1[CH2:17][CH2:16][N:15]([C:18]2[CH:23]=[CH:22][C:21]([NH:24][C:8]([C... | 1 |
C(C1=CC=CC=C1)N1CC2C(C2C1)N(C)C>CO[H].O.O.[Pd].[HH]>CN(C1C2CNCC12)C | 3 |
NC=1C=C(C(=O)OC)C=CC1SC(C)(CCCl)C>>CC1(CCNC2=C(S1)C=CC(=C2)C(=O)OC)C | 5 |
Cl.[NH2:2][C@H:3]1[CH2:7][C@@H:6]([N:8]2[CH:16]=[N:15][C:14]3[C:9]2=[N:10][C:11]([Cl:32])=[N:12][C:13]=3[NH:17][CH2:18][CH:19]([C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=2)[C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)[C@H:5]([OH:33])[C@@H:4]1[OH:34].C(N(C(C)C)CC)(C)C.[CH:44]1([C:48](Cl)=[O:49])[CH2:47][CH2:46][CH2:... | 1 |
CC1(OB(OC1(C)C)C=1C=C(C=CC1)C1(CC1)C#N)C.ClC1=C2C(=NC=N1)N(N=C2CC)C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2>O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].[Pd].C(C)(C)(C)P(C(C)(C)C)C(C)(C)C.C(C)(C)(C)P(C(C)(C)C)C(C)(C)C>C(C)C1=NN(C2=NC=NC(=C21)C=2C=C(C=CC2)C2(CC2)C#N)C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2 | 3 |
[Br-].[OH:2][C:3]1[CH:28]=[CH:27][C:26]([N+:29]([O-:31])=[O:30])=[CH:25][C:4]=1[CH2:5]P(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.[CH2:32](Cl)[CH:33]([CH3:35])[CH3:34]>>[CH:33]([C:35]1[O:2][C:3]2[CH:28]=[CH:27][C:26]([N+:29]([O-:31])=[O:30])=[CH:25][C:4]=2[CH:5]=1)([CH3:34])[CH3:32] | 1 |
Cl[C:2]1[CH:7]=[C:6]([Cl:8])[CH:5]=[C:4]([Cl:9])[N:3]=1.[Br-].[S:11]1[CH:15]=[CH:14][N:13]=[C:12]1[Zn+].C1COCC1.C(Cl)Cl>O.[Na+].[Cl-].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].CO>[Cl:8][C:6]1[CH:5]=[C:4]([Cl:9])[N:3]=[C:2]([C:12]2[S:11][CH:15]=[CH:14][N:13]=2)[CH:7]... | 1 |
COC1=CC=C(C(=O)CC#N)C=C1>>COC1=CC=C(C=C1)C=1C=C(NN1)N | 5 |
[N+:1]([O-:4])(O)=[O:2].[OH:5][C:6]1[CH:13]=[CH:12][C:9]([C:10]#[N:11])=[CH:8][CH:7]=1>C(O)(=O)C>[OH:5][C:6]1[CH:13]=[CH:12][C:9]([C:10]#[N:11])=[CH:8][C:7]=1[N+:1]([O-:4])=[O:2] | 1 |
C1=C(C=CC2=CC=CC=C12)S(=O)(=O)C1(CC1)C(=O)OC>CC(C)C[AlH]CC(C)C.ClCCl.C(C)(=O)OCC.ClCCl>C1=C(C=CC2=CC=CC=C12)S(=O)(=O)C1(CC1)C=O.C1=C(C=CC2=CC=CC=C12)S(=O)(=O)C1(CC1)CO | 3 |
Cl.[CH3:2][N:3]([CH2:5][C:6]1[C:7]([N+:15]([O-:17])=[O:16])=[C:8]([CH:12]=[CH:13][CH:14]=1)[C:9](O)=[O:10])[CH3:4].S(Cl)([Cl:20])=O>>[CH3:2][N:3]([CH2:5][C:6]1[C:7]([N+:15]([O-:17])=[O:16])=[C:8]([CH:12]=[CH:13][CH:14]=1)[C:9]([Cl:20])=[O:10])[CH3:4] | 1 |
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