Datasets:
Derify
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ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
C(=O)([O-])[O-].[Cs+].[Cs+].[NH:7]1[CH:11]=[C:10](/[CH:12]=[CH:13]/[C:14]([O:16][CH2:17][CH3:18])=[O:15])[CH:9]=[N:8]1.Br[CH2:20]/[CH:21]=[CH:22]/[C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1>C(#N)C>[CH2:20]([N:7]1[CH:11]=[C:10](/[CH:12]=[CH:13]/[C:14]([O:16][CH2:17][CH3:18])=[O:15])[CH:9]=[N:8]1)[CH:21]=[CH:22][C:23]...
1
[OH:1][CH2:2][C:3]1[N:8]=[C:7]([C:9](=[O:16])[C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=2)[C:6]([O:17][CH2:18][C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)=[CH:5][CH:4]=1.N1C=CN=C1.[Si:30](Cl)([C:33]([CH3:36])([CH3:35])[CH3:34])([CH3:32])[CH3:31]>CN(C)C=O>[C:9]([C:7]1[C:6]([O:17][CH2:18][C:19]2[CH:20]=[CH:21][CH:22...
1
NC=1C=CC(=NC1)OC>>IC1=NC(=CC=C1N)OC
5
FC1=NC=CC(=C1C)I.N1(N=CC=C1)C1=CC=C(C=C1)CN1N=C2C(C=3C=CC=CC13)=NNC2=O>>FC1=NC=CC(=C1C)N1N=C2C(=NN(C=3C=CC=CC23)CC2=CC=C(C=C2)N2N=CC=C2)C1=O
5
BrC1=C(C(=CC(=C1)C)[N+](=O)[O-])OC>O.CCO[H].[Zn].[Cl-].[NH4+]>BrC=1C(=C(N)C=C(C1)C)OC
3
[N+](#[C-])CC(=O)OCC.F[B-](F)(F)F.OC1=C(C=C(C=C1Cl)[N+]#N)Cl>O.CCO[H].O.O.O.C(C)(=O)[O-].[Na+]>ClC=1C=C(C=C(C1O)Cl)N1N=C(N=C1)C(=O)OCC
3
FC1=C(CBr)C=CC(=C1)F.ClC=1C=C(C(=O)OC)C=CC1N1C(C=C(C=C1C)O)=O>>ClC=1C=C(C(=O)OC)C=CC1N1C(C=C(C=C1C)OCC1=C(C=C(C=C1)F)F)=O
5
C(C1=CC=CC=C1)OC(=O)N1[C@@H](C[C@H](C1)OC(C)(C)C)C(NCC(OC)OC)=O>>C(C1=CC=CC=C1)OC(=O)N1[C@@H](C[C@H](C1)OC(C)(C)C)C(NCC=O)=O
5
[CH2:1]([O:8][C:9]1[CH:14]=[CH:13][N:12]([CH2:15][CH2:16][C:17]2[CH:22]=[CH:21][C:20]([CH2:23]O)=[CH:19][CH:18]=2)[C:11](=[O:25])[CH:10]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.P(Br)(Br)[Br:27]>C(Cl)Cl>[CH2:1]([O:8][C:9]1[CH:14]=[CH:13][N:12]([CH2:15][CH2:16][C:17]2[CH:22]=[CH:21][C:20]([CH2:23][Br:27])=[CH:19][CH:1...
1
C1C(C1)C(=O)NC=1SC=C(N1)C1=CC=C(CNC(=O)OC(C)(C)C)C=C1>>C1C(C1)C(=O)NC=1SC=C(N1)C1=CC=C(CN)C=C1
5
N(=[N+]=[N-])[C@H]1[C@@H]([C@H](CCC1)N1N=NC=C1C1=CC(=CC=C1)F)O>CO[H].[HH].[Pd]>N[C@H]1[C@@H]([C@H](CCC1)N1N=NC=C1C1=CC(=CC=C1)F)O
3
CC=1C(=NC=NC1OC1=CC=C(C=C1)C1COS(OC1)=O)OC1CCN(CC1)C(=O)OCC(C)C>>O=S1(OCC(CO1)C1=CC=C(OC2=C(C(=NC=N2)OC2CCN(CC2)C(=O)OCC(C)C)C)C=C1)=O
5
[Br:1][C:2]1[CH:14]=[CH:13][C:12]2[C:11]3[C:6](=[CH:7][C:8]([Br:15])=[CH:9][CH:10]=3)[CH2:5][C:4]=2[CH:3]=1.Br[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][Br:23].[OH-].[K+]>[Br-].C([N+](CCCC)(CCCC)CCCC)CCC>[Br:1][C:2]1[CH:14]=[CH:13][C:12]2[C:11]3[C:6](=[CH:7][C:8]([Br:15])=[CH:9][CH:10]=3)[C:5]([CH2:10][CH2:11][CH...
1
C1CCC2(CC1)CC(=O)NC2>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>C1NCCC12CCCCC2
3
Br.[C:2]([CH:4]([NH:14][CH2:15][C:16]([NH2:18])=[NH:17])[C:5]1[CH:10]=[C:9]([Cl:11])[CH:8]=[C:7]([Cl:12])[C:6]=1[Cl:13])#[N:3].O.[OH-].[Li+]>CO>[NH2:3][C:2]1[C:4]([C:5]2[CH:10]=[C:9]([Cl:11])[CH:8]=[C:7]([Cl:12])[C:6]=2[Cl:13])=[N:14][CH:15]=[C:16]([NH2:18])[N:17]=1
1
Br[C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[N:7](CC1C=CC(OC)=CC=1)[N:6]=[CH:5]2.[NH2:20][C@@H:21]1[CH2:26][CH2:25][CH2:24][N:23](C(OC(C)(C)C)=O)[CH2:22]1>>[NH:23]1[CH2:24][CH2:25][CH2:26][C@@H:21]([NH:20][C:2]2[CH:3]=[C:4]3[C:8](=[CH:9][CH:10]=2)[NH:7][N:6]=[CH:5]3)[CH2:22]1
1
[Cl:1][C:2]1[CH:7]=[C:6]([C:8]2[N:9]=[C:10]([N:18]3[CH2:21][CH:20]([C:22](O)=[O:23])[CH2:19]3)[C:11]3[C:16]([CH:17]=2)=[CH:15][N:14]=[CH:13][CH:12]=3)[CH:5]=[CH:4][N:3]=1.[CH:25]([NH2:28])([CH3:27])[CH3:26]>>[CH:25]([NH:28][C:22]([CH:20]1[CH2:19][N:18]([C:10]2[C:11]3[C:16](=[CH:15][N:14]=[CH:13][CH:12]=3)[CH:17]=[C:8](...
2
FC(C(=O)C1=CC=CC=C1)(F)F.Cl.COC([C@@H](N)CC(C)C)=O>>FC(C(C1=CC=CC=C1)N[C@@H](CC(C)C)C(=O)OC)(F)F
5
B(Cl)([C@H]1[C@H](C)[C@@H]2C(C)(C)[C@@H](C2)C1)[C@H]1[C@H](C)[C@@H]2C(C)(C)[C@@H](C2)C1.Cl.[Cl:24][CH2:25][C:26]([C:28]1[CH:29]=[N:30][CH:31]=[CH:32][CH:33]=1)=[O:27].C(N(CC)CC)C.O>C1COCC1.C(OCC)(=O)C>[Cl:24][CH2:25][C@@H:26]([C:28]1[CH:29]=[N:30][CH:31]=[CH:32][CH:33]=1)[OH:27]
1
Cl[CH:2]1[C:7]([O:8][C:9]2[CH:14]=[C:13]([Br:15])[CH:12]=[C:11]([Br:16])[CH:10]=2)=[C:6]([C:17]([F:20])([F:19])[F:18])[CH:5]=[CH:4][NH:3]1.[OH-:21].[K+]>C(O)(C)(C)C>[Br:16][C:11]1[CH:10]=[C:9]([CH:14]=[C:13]([Br:15])[CH:12]=1)[O:8][C:7]1[C:2](=[O:21])[NH:3][CH:4]=[CH:5][C:6]=1[C:17]([F:20])([F:19])[F:18]
1
FC=1C(=C(C=CC1F)[C@H]1C(O[C@]([C@H]1OCC)(C(F)(F)F)C)O)OC>C1(=CC=NC=C1)N(C)C.ClCCl.C(C)(=O)OC(C)=O.C(O)([O-])=O.[Na+]>C(C)(=O)OC1O[C@]([C@H]([C@H]1C1=C(C(=C(C=C1)F)F)OC)OCC)(C(F)(F)F)C
3
[Br:1][C:2]1[CH:10]=[C:9](/[CH:11]=[CH:12]/[CH:13]([C:18]2[CH:23]=[C:22]([Cl:24])[C:21]([Cl:25])=[C:20]([Cl:26])[CH:19]=2)[C:14]([F:17])([F:16])[F:15])[CH:8]=[CH:7][C:3]=1[C:4](O)=[O:5].ClCCCl.CCN=C=NCCCN(C)C.Cl.Cl.[F:44][C:45]([F:53])([F:52])[CH2:46][NH:47][C:48]([NH:50][NH2:51])=[O:49]>CN(C1C=CN=CC=1)C.C(Cl)Cl>[Br:1]...
1
C(CCC)C=1N=C(NC(C1CC1=CC=C(C=C1)C=1C(=CC=CC1)C#N)=O)C.BrCC(CO[Si](C)(C)C(C)(C)C)(C)C>CN(C(C)=O)C.C(=O)([O-])[O-].[Cs+].[Cs+]>C(CCC)C=1N=C(N(C(C1CC1=CC=C(C=C1)C=1C(=CC=CC1)C#N)=O)CC(CO[Si](C)(C)C(C)(C)C)(C)C)C
3
C1(CC1)C(=O)Cl.BrC=1C=CC2=C(C=CC3=C(NC2)C=CC(=C3)Cl)C1>c1ccncc1.ClCCCl>BrC=1C=CC2=C(C=CC3=C(N(C2)C(=O)C2CC2)C=CC(=C3)Cl)C1
3
Br[C:2]1[CH:3]=[C:4]([CH:13]2[O:17][CH2:16][CH2:15][O:14]2)[CH:5]=[C:6]([O:8][C:9]([F:12])([F:11])[F:10])[CH:7]=1.[CH:18]([N:21]1[CH2:26][CH2:25][NH:24][CH2:23][CH2:22]1)([CH3:20])[CH3:19].C1(P(C2C=CC=CC=2)C2C=CC3C(=CC=CC=3)C=2C2C3C(=CC=CC=3)C=CC=2P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C(=O)([O-])[O-].[Cs+].[Cs+]>C1C=CC(/...
1
[CH2:1]([O:3][N:4]=[C:5]([C:9]1[N:10]=[C:11]([NH:14][CH:15]=[O:16])[S:12][CH:13]=1)[C:6]([OH:8])=O)[CH3:2].[NH2:17][CH:18]1[C:39](=[O:40])[N:20]2[C:21]([C:36]([OH:38])=[O:37])=[C:22]([CH2:25][S:26][C:27]3[N:31]([CH2:32][C:33]([OH:35])=[O:34])[N:30]=[N:29][N:28]=3)[CH2:23][S:24][C@H:19]12>>[CH2:1]([O:3][N:4]=[C:5]([C:9]...
1
Cl.[C:2]1([C@H:12]([NH:14][CH2:15][CH2:16][C:17]([C:19]2[CH:24]=[CH:23][CH:22]=[C:21]([C:25]([F:28])([F:27])[F:26])[CH:20]=2)=O)[CH3:13])[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[CH:5]=[CH:4][CH:3]=1.[BH4-].[Na+].[OH-].[Na+].C(O)(=O)C.S(Cl)([Cl:39])=O>CO.C1(C)C=CC=CC=1.O>[ClH:39].[C:2]1([C@H:12]([NH:14][CH2:15]/[CH:1...
1
CC[Mg+].[Br-].COC(CCC\C=C/C[C@@H]1[C@H](C=CC1=O)\C=C\C(CCC1=C(C2=C(S1)C=CC=C2)Cl)O[Si](C)(C)C(C)(C)C)=O>[Cu]I.C1CCCO1>COC(CCC\C=C/C[C@@H]1[C@H]([C@@H](CC1=O)CC)\C=C\C(CCC1=C(C2=C(S1)C=CC=C2)Cl)O[Si](C)(C)C(C)(C)C)=O
3
CC(C)=O.OS(O)(=O)=O.O=[Cr](=O)=O.[OH:14][CH:15]([CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])[C:16]#[C:17][C:18]([OH:20])=[O:19]>S(=O)(=O)(O)O.CC(C)=O>[O:14]=[C:15]([CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])[C:16]#[C:17][C:18]([OH:20])=[O:19]
1
S([O-])([O-])(=O)=O.[Mg+2].[CH:7](=O)[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1.Cl.[NH2:16][C@H:17]([C:19]([O:21][CH:22]([CH3:24])[CH3:23])=[O:20])[CH3:18].C(N(CC)CC)C>C(Cl)Cl>[CH:7](=[N:16][C@H:17]([C:19]([O:21][CH:22]([CH3:24])[CH3:23])=[O:20])[CH3:18])[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1
2
ICI.C(C)OC(=O)C=1NN=C(C1)N>N(=O)OCCC(C)C>IC1=NNC(=C1)C(=O)OCC
3
[CH3:1][S:2]([NH:5][C:6]1[CH:21]=[CH:20][C:9]2[NH:10][C:11]([CH2:16][C:17](O)=[O:18])=[N:12][S:13](=[O:15])(=[O:14])[C:8]=2[CH:7]=1)(=[O:4])=[O:3].C([O:24][C:25]([CH:27]1[CH2:31][CH2:30][CH2:29][CH:28]1[NH:32][CH:33]1[CH2:38][CH2:37][CH2:36][CH2:35][CH2:34]1)=O)C.CN1CCOCC1.Cl.CN(C)CCCN=C=NCC.[O-]CC.[Na+].C(O)C>CN(C)C=O...
1
[CH3:1][C:2]1[CH:11]=[CH:10][C:9]2[C:4](=[CH:5][CH:6]=[CH:7][C:8]=2[C:12]([F:15])([F:14])[F:13])[N:3]=1.[Br:16]N1C(=O)CCC1=O.N(C(C)(C)C#N)=NC(C)(C)C#N>C(Cl)(Cl)(Cl)Cl>[Br:16][CH2:1][C:2]1[CH:11]=[CH:10][C:9]2[C:4](=[CH:5][CH:6]=[CH:7][C:8]=2[C:12]([F:13])([F:15])[F:14])[N:3]=1
2
[CH:1]1([C:4]2[N:9]=[C:8]([C:10]3[NH:27][C:13]4=[N:14][C:15]([N:18]5[CH2:23][CH2:22][CH2:21][C@@H:20]([C:24](O)=[O:25])[CH2:19]5)=[CH:16][CH:17]=[C:12]4[N:11]=3)[CH:7]=[CH:6][N:5]=2)[CH2:3][CH2:2]1.CCN=C=NCCCN(C)C.[OH:39][C:40]1[C:48]2[N:47]=NN[C:44]=2[CH:43]=[CH:42]C=1.C(N(CC)CC)C.[C@@H]12O[C@@H](CC1)CNC2>CN(C)C=O.CN(...
2
FC1=C(C(=O)O)C=C(C(=C1)C(F)(F)F)C1=NN(C=C1)C.NC=1C(=CC(=NC1)CC(=O)OCC)C1=CC=CC=C1>c1ccncc1.P(=O)(Cl)(Cl)Cl>FC1=C(C(=O)NC=2C(=CC(=NC2)CC(=O)OCC)C2=CC=CC=C2)C=C(C(=C1)C(F)(F)F)C1=NC=CC=N1
3
C([O:3][C:4](=[O:38])[CH2:5][CH2:6][NH:7][C:8]([C:10]1[N:15]=[CH:14][C:13]([NH:16][CH:17]([C:22]2[CH:27]=[CH:26][C:25]([C:28]3[CH:33]=[CH:32][C:31]([C:34]([F:37])([F:36])[F:35])=[CH:30][CH:29]=3)=[CH:24][CH:23]=2)[CH2:18][CH:19]([CH3:21])[CH3:20])=[CH:12][N:11]=1)=[O:9])C.FC(F)(F)C1C=CC(C2N=CC(NC(C3C=CC(C(NCCC(O)=O)=O)...
1
C1(=C(C=CC=C1)N)N.C(CO)(=O)O>Cl>OCC=1NC2=C(N1)C=CC=C2
3
BrC1=CC2=C(N=C(S2)OC2CCN(CC2)C2=NC=C(C=N2)CCC)C=C1.[N+](=O)(O)[O-].N1CCC(CC1)C(=O)N1CCCC1>>C(CC)C=1C=NC(=NC1)N1CCC(CC1)OC=1SC2=C(N1)C=CC(=C2)N2CCC(CC2)C(=O)N2CCCC2
5
[CH3:1][N:2]1[C:10]2[C:5](=[CH:6][C:7]([CH:11]=[O:12])=[CH:8][CH:9]=2)[CH:4]([CH3:13])[CH:3]1[CH3:14].C(C1C(=O)C(Cl)=C(Cl)C(=O)C=1C#N)#N.C1(C)C=CC=CC=1>O1CCOCC1>[CH3:1][N:2]1[C:10]2[C:5](=[CH:6][C:7]([CH:11]=[O:12])=[CH:8][CH:9]=2)[C:4]([CH3:13])=[C:3]1[CH3:14]
1
COC1OC(CC1)OC.NC1=NC=C(C=N1)Br>>BrC=1C=NC(=NC1)N1C=CC=C1
5
ClC1=CC=C2CC(NC2=C1)=O.ClC1=CC(=C(OCC#N)C=C1)C=O>CO[H].C1CCNC1>ClC1=CC(=C(OCC#N)C=C1)\C=C\1/C(NC2=CC(=CC=C12)Cl)=O
3
C[O:2][C:3](=[O:29])[C@@H:4]([O:26][CH2:27][CH3:28])[CH2:5][C:6]1[CH:11]=[CH:10][C:9]([O:12][CH2:13][C:14]2[N:15]=[C:16]([C:19]3[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=3)[O:17][CH:18]=2)=[CH:8][C:7]=1[CH3:25].[Li+].[OH-]>>[CH2:27]([O:26][C@@H:4]([CH2:5][C:6]1[CH:11]=[CH:10][C:9]([O:12][CH2:13][C:14]2[N:15]=[C:16]([C:19]3...
1
CC[Mg+].[Br-].IC=1N=CN(C1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.[N+](=O)([O-])C=1C=CC2CCC=C(C2C1)OS(=O)(=O)C(F)(F)F>>[N+](=O)([O-])C=1C=CC2CCC=C(C2C1)C=1N=CN(C1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
5
CS(=O)(=O)OC1CC(CN(C1)C(=O)OC(C)(C)C)C(=O)OC>N(C)(C)C=O.[N-]=[N+]=[N-].[Na+]>N(=[N+]=[N-])C1CC(CN(C1)C(=O)OC(C)(C)C)C(=O)OC
3
COC(C1=CC(=C(C=C1)C1=NC2=C(N(C=3C1=CC=1C(CCC(C1C3)(C)C)(C)C)C)C=CC(=C2)C(C)=O)F)=O>C1CCCO1.CO[H].[OH-].[Na+]>C(C)(=O)C1=CC2=C(N(C=3C(=CC=4C(CCC(C4C3)(C)C)(C)C)C(=N2)C2=C(C=C(C(=O)O)C=C2)F)C)C=C1
3
FC1=C(C=O)C=C(C=C1)[N+](=O)[O-]>>FC1=C(CN2[C@@H](CCC2)CO)C=C(C=C1)[N+](=O)[O-]
5
CC1=NN(C2=CC=C(C=C12)C(=O)OC)C1COC1>>CC1=NN(C2=CC=C(C=C12)C(=O)O)C1COC1
5
FC1=CC=C2C(=CN(C2=C1)C(=O)OC(C)(C)C)B1OC(C(O1)(C)C)(C)C.BrC=1C=CC2=C(C(NS2(=O)=O)C)C1>O.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].P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>FC1=CC=C2C(=CN(C2=C1)C(=O)OC(C)(C)C)C=1C=CC2=C(C(NS2(=O)=O)C)C1
3
C(CC)S>>C(CCC)[Sn](SCCC)(CCCC)CCCC
5
[F:1][C:2]1[CH:28]=[C:27]([F:29])[CH:26]=[CH:25][C:3]=1[O:4][C:5]1[CH:10]=[CH:9][C:8]([S:11]([CH2:14][CH3:15])(=[O:13])=[O:12])=[CH:7][C:6]=1B1OC(C)(C)C(C)(C)O1.C(C1C=C([C:38]2[C:43]3[N:44]=[C:45](C4C=NN(C)C=4)[N:46]=[CH:47][C:42]=3[C:41](=[O:54])[N:40]([CH3:55])[CH:39]=2)C(OCCC)C(=S(=O)=O)C=1)C.BrC1C2N=CN=CC=2C(=O)N(C...
2
COCCC/C=C/C#C[Si](C)(C)C>>COCCC/C=C/C#C
5
[OH:1][C:2]([CH3:35])([CH3:34])[CH2:3][C@@:4]1([C:28]2[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=2)[O:9][C:8](=[O:10])[N:7]([C@H:11]([C:13]2[CH:18]=[CH:17][C:16](B3OC(C)(C)C(C)(C)O3)=[CH:15][CH:14]=2)[CH3:12])[CH2:6][CH2:5]1.Br[C:37]1[CH:38]=[CH:39][C:40]([C:43]2([C:46]#[N:47])[CH2:45][CH2:44]2)=[N:41][CH:42]=1>>[OH:1][C:2]...
1
O1CC(CC1)C=O.NC=1C(=NC(=NC1)Cl)Cl>ClCCl.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].[Ti](Cl)(Cl)(Cl)Cl>ClC1=NC=C(C(=N1)Cl)NCC1COCC1
3
C(C)C1=CC=CC(=N1)N>N(C)(C)C=O.ClN1C(CCC1=O)=O>ClC=1C=CC(=NC1CC)N
3
COCCBr.OC1=CC=C2C=CNC2=C1>>COCCOC1=CC=C2C=CNC2=C1
5
FC(C1=CC(=NN1)C)F>>FC(C1=CC(=NN1)C(=O)O)F
5
Cl.CN.OC(=O)C(F)(F)F.C(C)(C)(C)OC(=O)N1CC(N(CC1)C(=O)NC1=CC=C(C(=O)O)C=C1)COC=1C=NC=CC1>>CNC(=O)C1=CC=C(C=C1)NC(=O)N1C(CN(CC1)C(=O)OC(C)(C)C)COC=1C=NC=CC1
5
[NH3:1].[N:2]([C:5]1[CH:10]=[CH:9][C:8]([C:11]2[O:15][N:14]=[C:13]([CH3:16])[CH:12]=2)=[C:7]([O:17][CH3:18])[CH:6]=1)=[C:3]=[S:4]>CO>[CH3:18][O:17][C:7]1[CH:6]=[C:5]([NH:2][C:3]([NH2:1])=[S:4])[CH:10]=[CH:9][C:8]=1[C:11]1[O:15][N:14]=[C:13]([CH3:16])[CH:12]=1
1
[Cl:1][C:2]1[C:3]([C:9]2[CH:14]=[CH:13][CH:12]=[C:11]([NH:15][CH2:16][C:17]3[CH:22]=[CH:21][CH:20]=[C:19]([F:23])[CH:18]=3)[N:10]=2)=[CH:4][C:5](F)=[N:6][CH:7]=1.[C@H:24]1([NH2:31])[CH2:29][CH2:28][C@H:27]([NH2:30])[CH2:26][CH2:25]1.C(#N)C.O>CS(C)=O>[NH2:30][C@H:27]1[CH2:28][CH2:29][C@H:24]([NH:31][C:5]2[CH:4]=[C:3]([C...
1
CC=1C=C(C=C(C1)OC1=NC=C(C=C1)C(F)(F)F)CO>ClCCl.ClS(Cl)=O>ClCC=1C=C(OC2=NC=C(C=C2)C(F)(F)F)C=C(C1)C
3
[Br-].C[Mg+].BrC1=CC=C(C=C1)[C@H](C)N1C(O[C@](CC1)(C1=CC=C(C=C1)F)CCC=O)=O>>BrC1=CC=C(C=C1)[C@H](C)N1C(O[C@@](CC1)(CCC(C)O)C1=CC=C(C=C1)F)=O
5
[CH2:1]([NH:17][S:18]([C:21]1[CH:26]=[CH:25][C:24]([O:27][CH3:28])=[C:23]([O:29][CH3:30])[CH:22]=1)(=[O:20])=[O:19])[CH2:2][NH:3][S:4]([C:7]1[CH:12]=[CH:11][C:10]([O:13][CH3:14])=[C:9]([O:15][CH3:16])[CH:8]=1)(=[O:6])=[O:5].C(=O)([O-])[O-:32].[K+].[K+].Cl[CH2:38][C:39](Cl)=O>C(#N)C>[CH3:16][O:15][C:9]1[CH:8]=[C:7]([S:4...
2
[CH2:1]([O:4][C:5]([N:7]1[CH2:11][CH2:10][CH2:9][C@H:8]1/[CH:12]=[C:13](/[C:15]1[CH2:21][C@H:20]2[N:17]([C:18](=[O:32])[C@@H:19]2[C@H:22]([O:24][Si](C(C)(C)C)(C)C)[CH3:23])[C:16]=1[C:33]([O:35][CH2:36][CH:37]=[CH2:38])=[O:34])\[CH3:14])=[O:6])[CH:2]=[CH2:3].C(O)(=O)C.[F-].C([N+](CCCC)(CCCC)CCCC)CCC.C(=O)([O-])O.[Na+]>O...
1
C(O)C(N)(CO)CO.Cl.[Mg+2].[Cl-].[Cl-].[C:13]([NH2:21])(=[O:20])[C:14]1[CH:19]=[CH:18][CH:17]=[N:16][CH:15]=1.[CH2:22]([O:39][P:40]([OH:43])([OH:42])=[O:41])[C@H:23]1[O:27][C@H:26]([O:28][P:29]([O:32][P:33]([OH:36])([OH:35])=[O:34])([OH:31])=[O:30])[C@H:25]([OH:37])[C@@H:24]1[OH:38]>>[CH:18]1[CH:17]=[N+:16]([CH:26]2[O:27...
1
BrC=1SC=C(N1)C(F)(F)F.C(C1=CC=CC=C1)O[C@@H]1[C@@H](N(C[C@@H]([C@H]1OCC1=CC=CC=C1)OCC1=CC=CC=C1)C[C@@H]1CNCC1)COCC1=CC=CC=C1>O.CN(C(C)=O)C.C(=O)([O-])[O-].[Cs+].[Cs+]>FC(C=1N=C(SC1)N1C[C@@H](CC1)CN1[C@H]([C@H]([C@@H]([C@H](C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)COCC1=CC=CC=C1)(F)F
3
NO.C1(CC1)[C@H](C1=CC=2N(N=C1)C=C(N2)[C@H](C2CCC(CC2)(F)F)NC(\C(=N\O)\C#N)=O)NC(CC2CC(C2)(F)F)=O>C1CCCO1.CCN(CC)CC>NC=1C(=NON1)C(=O)N[C@@H](C1CCC(CC1)(F)F)C=1N=C2N(N=CC(=C2)[C@H](NC(CC2CC(C2)(F)F)=O)C2CC2)C1
3
[C:1]([O:5][C:6]([N:8]1[CH2:14][CH2:13][CH2:12][N:11]([C:15](=[O:32])[C:16]2[CH:21]=[C:20]([OH:22])[CH:19]=[C:18]([C:23]3[CH:31]=[CH:30][C:26]4[O:27][CH2:28][O:29][C:25]=4[CH:24]=3)[CH:17]=2)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].C(=O)([O-])[O-].[K+].[K+].[CH2:39]([O:41][C:42](=[O:67])[CH2:43][CH2:44][CH2:45...
1
BrC1=C(C=CC=C1)C1N(CC(C1)O)C(=O)OC(C)(C)C>O.ClCCl.C(C)N(CC)S(F)(F)F>BrC1=C(C=CC=C1)C1N(CC(C1)F)C(=O)OC(C)(C)C
3
[Cl:1][C:2]1[N:3]=[C:4](Cl)[C:5]2[CH2:11][O:10][CH2:9][CH:8]([C:12]3[CH:17]=[CH:16][C:15]([F:18])=[C:14]([F:19])[CH:13]=3)[C:6]=2[N:7]=1.[CH2:21]([NH2:23])[CH3:22]>>[Cl:1][C:2]1[N:3]=[C:4]([NH:23][CH2:21][CH3:22])[C:5]2[CH2:11][O:10][CH2:9][CH:8]([C:12]3[CH:17]=[CH:16][C:15]([F:18])=[C:14]([F:19])[CH:13]=3)[C:6]=2[N:7]...
1
IC1=CC=NC=C1.CC=1N=C2N(N=C(C=C2)N2CCN(CC2)C)C1>N(C)(C)C=O.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C([O-])([O-])=O.[Na+].[Na+]>CC=1N=C2N(N=C(C=C2)N2CCN(CC2)C)C1C1=CC=NC=C1
3
[Cl-].[P+]=O.BrC=1C(NC=C(C1C)[N+](=O)[O-])=O>>BrC=1C(=NC=C(C1C)[N+](=O)[O-])Cl
5
[OH:1][C:2]1[CH:7]=[CH:6][C:5]([NH:8][CH2:9][C:10]([OH:12])=[O:11])=[CH:4][CH:3]=1.[ClH:13].[CH3:14][CH2:15]O>>[ClH:13].[CH2:14]([N:8]([C:5]1[CH:6]=[CH:7][C:2]([OH:1])=[CH:3][CH:4]=1)[CH2:9][C:10]([OH:12])=[O:11])[CH3:15]
1
[O:1]1CCO[CH:2]1[C:6]1[CH:7]=[CH:8][C:9]([O:33][C:34]([F:37])([F:36])[F:35])=[C:10]([C:12]2[CH:21]=[C:20]3[C:15]([C:16]([CH3:31])([CH3:30])[CH2:17][CH:18]=[C:19]3OS(C(F)(F)F)(=O)=O)=[CH:14][C:13]=2[CH3:32])[CH:11]=1.[S:38]1[CH:42]=[CH:41][CH:40]=[C:39]1B(O)O.C(=O)([O-])[O-].[K+].[K+].C(O)C>C1(C)C=CC=CC=1.O>[F:37][C:34]...
2
Cl.FC1(CCC(CC1)N)F>>FC1(CCC(CC1)NC(OC1=CC=C(C=C1)[N+](=O)[O-])=O)F
5
C(C1=CC=CC=C1)Cl.C(CCC)NCCCC>C1(=CC=CC=C1)C.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].CC(C)(C)[O-].[Na+].C1(CCCCC1)P(C1=C(C2=CC=CC=C2C=C1)C1=C(C=CC2=CC=CC=C12)N(C)C)C1CCCCC1>C(CCC)N(C1=CC=C(C=C1)C)CCCC
3
CN(N1CCC(CC1)=O)C>>CN(N1CCC(CC1)=NO)C
5
F[C:2]1[CH:9]=[C:8]([N:10]2[C:22]3[CH:21]=[CH:20][CH:19]=[C:18]([C:23]4[NH:27][C:26]5[CH:28]=[C:29]([F:32])[CH:30]=[CH:31][C:25]=5[N:24]=4)[C:17]=3[C:16]3[C:11]2=[CH:12][CH:13]=[CH:14][CH:15]=3)[CH:7]=[CH:6][C:3]=1[C:4]#[N:5].C(=O)([O-])[O-:34].[K+].[K+].[NH2:39][CH2:40][C:41]1([OH:46])[CH2:45][CH2:44][CH2:43][CH2:42]1...
1
COC=1C=C(C=CC1)O.FC1=C(C(=CC=C1)F)NC(=O)C1=NN(C=C1)CC1=C(C=CC=C1)I>CS(=O)C.C(=O)([O-])[O-].[Cs+].[Cs+]>FC1=C(C(=CC=C1)F)NC(=O)C1=NN(C=C1)CC1=C(C=CC=C1)OC1=CC(=CC=C1)OC
3
C1(=CC=CC=C1)S(=O)(=O)Cl.COC1=C2C=CNC2=NC=C1>ClCCl.[OH-].[Na+].[Br-].C(CCC)[N+](CCCC)(CCCC)CCCC>C1(=CC=CC=C1)S(=O)(=O)N1C=CC2=C(C=CN=C12)OC
3
CB(O)O.ClC1=C(C(=C(C#N)C(=C1)OC1CC1)C=1N(N=CC1)C)F>C([O-])([O-])=O.[K+].[K+].O1CCOCC1.[Pd](Cl)Cl.C(C)(C)(C)P([C-]1C=CC=C1)C(C)(C)C.[C-]1(C=CC=C1)P(C(C)(C)C)C(C)(C)C.[Fe+2]>C1(CC1)OC1=CC(=C(C(=C1C#N)C=1N(N=CC1)C)F)C
3
[Br-].C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.COCOC=1C=CC(=C2CCC(C12)=O)C>CC(C)(C)[O-].[K+].C1CCCO1.[Cl-].[NH4+]>COCOC=1C=CC(=C2CCC(C12)=C)C
3
C(C)(=O)O.C(C)(=O)O.C(C)(=O)O.C(C)(=O)O.C(C)(=O)O.NCCNCCN>CS(=O)C.C1(CCCCC1)N=C=NC1CCCCC1>C(=O)(NC1CCCCC1)NC1CCCCC1
3
[F:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[N:7]([CH3:11])[CH:6]=[C:5]2[CH2:12][NH:13][CH3:14].CNCC1C2C=CC=CC=2N2CCCC=12.[NH2:30][C:31]1[N:36]=[CH:35][C:34](/[CH:37]=[CH:38]/[C:39]([OH:41])=O)=[CH:33][CH:32]=1.Cl.O=C1NC2N=CC(/C=C/C(O)=O)=CC=2CC1>>[NH2:30][C:31]1[N:36]=[CH:35][C:34](/[CH:37]=[CH:38]/[C:39]([N:13]([C...
1
[C:1]([O:5][C:6]([NH:8][CH2:9][C:10](ON1C(=O)CCC1=O)=[O:11])=[O:7])([CH3:4])([CH3:3])[CH3:2].[NH:20]1[CH2:24][CH2:23][CH2:22][C@H:21]1[C:25]([NH2:27])=[O:26].CCN(C(C)C)C(C)C>ClCCl>[C:25]([C@@H:21]1[CH2:22][CH2:23][CH2:24][N:20]1[C:10](=[O:11])[CH2:9][NH:8][C:6](=[O:7])[O:5][C:1]([CH3:2])([CH3:3])[CH3:4])(=[O:26])[NH2:2...
2
[H-].[Al+3].[Li+].[H-].[H-].[H-].C([O:9][C:10]([C:12]1[C:21]([Cl:22])=[C:15]2[C:16](=[O:20])[NH:17][CH2:18][CH2:19][N:14]2[N:13]=1)=O)C>C1COCC1.CCOC(C)=O>[Cl:22][C:21]1[C:12]([CH2:10][OH:9])=[N:13][N:14]2[CH2:19][CH2:18][NH:17][C:16](=[O:20])[C:15]=12
1
[C:1]([N:4]1[C:13]2[C:8](=[CH:9][C:10]([C:14]([O:16][CH2:17][CH3:18])=[O:15])=[CH:11][CH:12]=2)[C@H:7]([NH2:19])[C@@H:6]([CH3:20])[C@@H:5]1[CH:21]1[CH2:23][CH2:22]1)(=[O:3])[CH3:2].Br[C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][N:26]=1.CC(C)([O-])C.[Na+]>C1(C)C=CC=CC=1>[C:1]([N:4]1[C:13]2[C:8](=[CH:9][C:10]([C:14]([O:16][CH2:...
2
Cl.O1CCOCC1.[C:8]12([CH2:18][C:19]([O:21][CH2:22][CH2:23][O:24][CH2:25][CH2:26][NH:27]C(OC(C)(C)C)=O)=[O:20])[CH2:17][CH:12]3[CH2:13][CH:14]([CH2:16][CH:10]([CH2:11]3)[CH2:9]1)[CH2:15]2.C([O-])([O-])=O.[K+].[K+]>>[C:8]12([CH2:18][C:19]([O:21][CH2:22][CH2:23][O:24][CH2:25][CH2:26][NH2:27])=[O:20])[CH2:15][CH:14]3[CH2:13...
2
C(C1=CC=CC=C1)OC1=NC(=CC(=C1CCl)C)C.CC=1C(=CC=C2CCNC(C12)=O)OC(C)C>O.C1CCCO1.[H-].[Na+]>C(C1=CC=CC=C1)OC1=NC(=CC(=C1CN1C(C2=C(C(=CC=C2CC1)OC(C)C)C)=O)C)C
3
Br[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C[Sn](C)(C)[C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1>C([O-])(=O)C.C([N+](CCCC)(CCCC)CCCC)CCC.[Pd].CCOC(C)=O>[C:2]1([C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=2)[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
2
C(C)(C)(C)OC(NC1CCC(CC1)=O)=O.FC(C(F)(F)F)(F)[Si](C)(C)C>C1CCCO1.ClCCl.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC.[Cl-].[NH4+]>C(C)(C)(C)OC(NC1CCC(CC1)(C(C(F)(F)F)(F)F)O)=O
3
[N:1]1([CH:7]2[CH2:12][CH2:11][N:10]([C:13](=[O:54])[C@H:14]([NH:34][C:35]([N:37]3[CH2:42][CH2:41][CH:40]([N:43]4[CH2:52][C:51]5[C:46](=[CH:47][CH:48]=[CH:49][CH:50]=5)[NH:45][C:44]4=[O:53])[CH2:39][CH2:38]3)=[O:36])[CH2:15][C:16]3[CH:17]=[C:18]4[C:22](=[CH:23][CH:24]=3)[N:21](S(CC[Si](C)(C)C)(=O)=O)[N:20]=[CH:19]4)[CH...
1
COC=1C=NC2=CC=C(C=C2C1)C(C(=O)OC(C)(C)C)C>Cl.C(C)(=O)OCC>Cl.COC=1C=NC2=CC=C(C=C2C1)C(C(=O)O)C
3
C1COCCN1.CC1=NC2=CC=CC(=C2C=C1)C1CCN(CC1)CCC1=CC=CC=2N3C(COC21)=C(N=C3)C(=O)OCC>ClCCl.C[Al](C)C>Cl.Cl.CC1=NC2=CC=CC(=C2C=C1)C1CCN(CC1)CCC1=CC=CC=2N3C(COC21)=C(N=C3)C(=O)N3CCOCC3
3
C(C1=CC=CC=C1)N(C=1C=C2C(=CN1)NC(=C2)CO)CC2=CC=CC=C2>>C(C1=CC=CC=C1)N(C=1C=C2C(=CN1)NC(=C2)C=O)CC2=CC=CC=C2
5
[O:1]=[C:2]1[CH2:7][C@H:6]([CH3:8])[S:5](=[O:10])(=[O:9])[C:4]2[S:11][CH:12]=[CH:13][C:3]1=2.S1C2C=CCSC=2C=C1>>[OH:1][C:2]1[CH2:7][C@H:6]([CH3:8])[S:5](=[O:10])(=[O:9])[CH:4]2[S:11][CH:12]=[CH:13][C:3]=12
1
Cl.[CH3:2][NH:3][O:4][CH3:5].[C:6](Cl)(=[O:10])[C:7](Cl)=[O:8]>C(Cl)Cl.N1C=CC=CC=1>[CH3:2][N:3]([O:4][CH3:5])[C:7]([C:6]([N:3]([CH3:2])[O:4][CH3:5])=[O:10])=[O:8]
1
C(OC([N:11]1[CH2:16][CH2:15][N:14]([C:17](=[O:31])[N:18]([C:25]2[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=2)[C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)[CH:13]([C:32]([OH:34])=[O:33])[CH2:12]1)=O)C1C=CC=CC=1.[H][H]>CO.[Pd].C(O)(=O)C>[C:32]([OH:34])(=[O:33])[CH3:13].[C:25]1([N:18]([C:19]2[CH:20]=[CH:21][CH:22]=[CH:23][CH...
1
ClC1=C(C(=CC=C1)[N+](=O)[O-])N1CCC(CC1)OC=1C=NC=CC1>O.[Zn].O1CCOCC1.[Cl-].[NH4+]>ClC=1C(=C(N)C=CC1)N1CCC(CC1)OC=1C=NC=CC1
3
[C-]#N.[Na+].COC(=O)C1=CC=C(C=C1)CBr>>C(=O)(OC)C1=CC=C(C=C1)CC#N
5
[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:9]=[N:10][C:11](=O)[NH:12][N:13]=2)=[CH:4][CH:3]=1.P(Cl)(Cl)([Cl:17])=O.CN(C)C=O>C(Cl)(Cl)Cl>[Cl:17][C:11]1[N:12]=[N:13][C:8]([C:5]2[CH:6]=[CH:7][C:2]([F:1])=[CH:3][CH:4]=2)=[CH:9][N:10]=1
1