Datasets:
Derify
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ReactionSmiles

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xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
[NH2:1][C:2]1[N:7]=[C:6]([CH:8]2[CH2:10][CH2:9]2)[CH:5]=[C:4]([CH3:11])[N:3]=1.[H-].[Na+].[CH3:14][O:15][C:16](=O)[O:17]C.Cl>O1CCCC1>[CH3:14][O:15][C:16](=[O:17])[NH:1][C:2]1[N:7]=[C:6]([CH:8]2[CH2:10][CH2:9]2)[CH:5]=[C:4]([CH3:11])[N:3]=1
1
ClC=1C(=C(C=CC1F)C(N[S@](=O)C(C)(C)C)C=1C=NC(=CC1)C(F)(F)F)F>CO[H].ClCCl.Cl.O1CCOCC1>Cl.ClC=1C(=C(C=CC1F)C(N)C=1C=NC(=CC1)C(F)(F)F)F
3
BrC1=C(C(=C(C=C1)CC(=O)O)F)Cl>CO[H].ClS(Cl)=O>BrC1=C(C(=C(C=C1)CC(=O)OC)F)Cl
3
[CH2:1]([C:3]1([CH:10]([CH3:12])[CH3:11])[NH:7][C:6](=[O:8])[NH:5][C:4]1=[O:9])[CH3:2].[Br:13][C:14]1[CH:19]=[CH:18][C:17]([NH:20][C:21](=[O:24])[CH2:22]Cl)=[CH:16][CH:15]=1.C([O-])([O-])=O.[K+].[K+]>CC(C)=O>[Br:13][C:14]1[CH:15]=[CH:16][C:17]([NH:20][C:21](=[O:24])[CH2:22][N:5]2[C:4](=[O:9])[C:3]([CH2:1][CH3:2])([CH:1...
1
O[C:2]([C:4](F)(F)F)=O.[Cl:8][C:9]1[S:21][C:12]2[NH:13][C:14](=[O:20])[C:15]([C:18]#[N:19])=[C:16]([OH:17])[C:11]=2[C:10]=1[C:22]1[CH:27]=[CH:26][C:25]([O:28][CH2:29][C:30]2([OH:36])[CH2:35][CH2:34][NH:33][CH2:32][CH2:31]2)=[CH:24][CH:23]=1.C(=O)C.CS(C)=O.CO>CC(O)=O>[Cl:8][C:9]1[S:21][C:12]2[NH:13][C:14](=[O:20])[C:15]...
1
ClC(=O)OCC1=CC=CC=C1.C(#N)C=1C=C(C=CC1)[C@H]1SCC(N1)C(=O)O>>C(C1=CC=CC=C1)OC(=O)N1[C@H](SCC1C(=O)O)C1=CC(=CC=C1)C#N
5
[C:1]([N:4]1[CH2:7][CH:6]([C:8]([NH:10][C:11]2[CH:15]=[C:14]([CH3:16])[N:13]([CH2:17][C:18]3[C:26]4[O:25][C:24]([C:27]5[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=5)=[CH:23][C:22]=4[CH:21]=[C:20]([Cl:33])[CH:19]=3)[N:12]=2)=[O:9])[CH2:5]1)(=[O:3])[CH3:2].Cl[C:35]1C=C(CN2C(C)=CC(NC(=O)C[C@@H]3CCCN3)=N2)C2OC(C3C=CC=CC=3)=CC=2[...
2
[CH2:1]([C:8]1[CH:13]=[CH:12][C:11]([CH2:14][C:15]([OH:17])=[O:16])=[CH:10][C:9]=1[CH2:18][C:19]([OH:21])=O)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1>S1(CCCC1)(=O)=O>[O:21]=[C:19]1[C:7]2[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=2[CH2:1][C:8]2[CH:13]=[CH:12][C:11]([CH2:14][C:15]([OH:17])=[O:16])=[CH:10][C:9]=2[CH2:18]1
1
CC1(OC[C@H](O1)COS(=O)(=O)C1=CC=C(C=C1)C)C.Cl.COC=1C=C(C=CC1)C=1N=C2SC=CN2C1C1=NC(=NC=C1)N[C@H]1CNCCC1>>CC1(OC[C@H](O1)CN1C[C@@H](CCC1)NC1=NC=CC(=N1)C1=C(N=C2SC=CN21)C2=CC(=CC=C2)OC)C
5
IC1=CC=C(C(=O)OCC)C=C1>>C(C)OC(C1=CC(=C(C=C1)I)[N+](=O)[O-])=O
5
NC=1SC(=CC1C(=O)OC)C1=CC=CC=C1>>COC(=O)C1=CSC(=C1)C1=CC=CC=C1
5
CS(=O)(=O)Cl.N1CCC1.C(C)(C)(C)OC(=O)N1CC(C(CC1)C=1N(C=C(N1)C1=CC(=C(C=C1)F)C)CCO)(F)F>C1CCCO1.C(=O)(C(F)(F)F)O.C(C)(C)N(C(C)C)CC>N1(CCC1)CCN1C(=NC(=C1)C1=CC(=C(C=C1)F)C)C1C(CNCC1)(F)F
3
[OH:1][C:2]1[CH:6]=[C:5]([N:7]2[C:11]3[CH:12]=[CH:13][C:14]([C:16]4[CH:17]=[N:18][N:19]([CH3:21])[CH:20]=4)=[CH:15][C:10]=3[N:9]=[CH:8]2)[S:4][C:3]=1[C:22]([O:24][CH3:25])=[O:23].O[CH:27]([C:29]1[CH:30]=[C:31]([O:35][CH:36]2[CH2:41][CH2:40][N:39]([C:42]([O:44][C:45]([CH3:48])([CH3:47])[CH3:46])=[O:43])[CH2:38][CH2:37]2...
2
[F:1][C:2]([F:25])([F:24])[O:3][C:4]1[CH:9]=[CH:8][C:7]([N:10]2[CH:14]=[N:13][C:12]([C:15]3[CH:20]=[CH:19][C:18]([N+:21]([O-])=O)=[CH:17][CH:16]=3)=[N:11]2)=[CH:6][CH:5]=1.C1C(=O)N(Br)C(=O)C1.CSC.[N+](C1C=CC(C=NNC2C=CC(OC(F)(F)F)=CC=2)=CC=1)([O-])=O.[Br-].N1C=NN=N1.C(N(CC)CC)C>C(Cl)Cl.CCO>[F:25][C:2]([F:1])([F:24])[O:3...
1
[NH2:1][CH2:2][C@@H:3]1[CH2:8][CH2:7][C@H:6]([NH:9][C:10]2[CH:19]=[CH:18][C:17]3[C:12](=[CH:13][CH:14]=[CH:15][CH:16]=3)[N:11]=2)[CH2:5][CH2:4]1.[F:20][C:21]1[CH:22]=[C:23]([CH:27]=[CH:28][C:29]=1[F:30])[C:24](O)=[O:25].CCN(CC)CC.C1C=CC2N(O)N=NC=2C=1.O.CCN=C=NCCCN(C)C.[ClH:60]>CN(C=O)C.O>[ClH:60].[F:20][C:21]1[CH:22]=[...
2
[C:1]([Si:5]([C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1)([C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1)Cl)([CH3:4])([CH3:3])[CH3:2].N1C=CN=C1.[Cl:24][CH2:25][CH:26]([OH:49])[CH2:27][CH:28]([C:40]1[CH:45]=[C:44]([F:46])[C:43]([F:47])=[C:42]([F:48])[CH:41]=1)[C:29]([NH:31][NH:32][C:33]([O:35][C:36]([CH3:39])([CH3:38])[...
1
C(=O)=O.BrC1=CC=C(C=C1)C=1CCN(CC1)CC1=CC=CC=C1>C1CCCO1.C(CCC)[Li].CCCCCC>C1(=CC=CC=C1)CN1CCC(=CC1)C1=CC=C(C(=O)O)C=C1
3
N1=CC=C(C=C1)C1=CC=2N=C(N=C(C2O1)O)O>C(C)(C)N(C(C)C)CC.C(O)([O-])=O.[Na+].C1(=CC=CC=C1)P(=O)(Cl)Cl>ClC=1N=C(C2=C(N1)C=C(O2)C2=CC=NC=C2)Cl
3
Cl.ClC1=CC=C2NC=C(CCN)C2=C1.C(#N)C1=CC=C(C=C1)N1C(C(CC1)C(=O)O)=O>N(C)(C)C=O.C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=C(C=CC=C5)N=N4.F[P-](F)(F)(F)(F)F>ClC=1C=C2C(=CNC2=CC1)CCNC(=O)C1C(N(CC1)C1=CC=C(C=C1)C#N)=O
3
ClC1=NC(=CC(=N1)Cl)CCC.N1C[C@H](CCC1)NC(OC(C)(C)C)=O>>ClC1=NC(=CC(=N1)N1C[C@H](CCC1)NC(OC(C)(C)C)=O)CCC
5
NC1=CC=C(C=C1)CCN>>F[B-](F)(F)F.[NH3+]CCC1=CC=C(C=C1)[N+]#N.F[B-](F)(F)F
5
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:9]=[C:10]([C:20](O)=[O:21])[N:11]=[N:12][C:13]=2[O:14][CH2:15][C:16]([F:19])([F:18])[F:17])=[CH:4][CH:3]=1.[CH:23]1([C:26]2[CH:30]=[C:29]([CH2:31][NH2:32])[O:28][N:27]=2)[CH2:25][CH2:24]1>>[CH:23]1([C:26]2[CH:30]=[C:29]([CH2:31][NH:32][C:20]([C:10]3[N:11]=[N:12][C:13]([O:14][CH2...
1
C(C=C)(=O)Cl.NC12CC(C1)(C2)C(=O)NC2CC(CCC2)NC2=NC=C(C(=N2)C2=CNC1=CC=CC=C21)Cl>ClCCl.CCN(CC)CC.C(O)([O-])=O.[Na+]>ClC=1C(=NC(=NC1)NC1CC(CCC1)NC(=O)C12CC(C1)(C2)NC(C=C)=O)C2=CNC1=CC=CC=C21
3
CC1=CC(=NC=2N1C=NC2C(=O)OCC)SC>ClCCl.ClC=1C=C(C(=O)OO)C=CC1>CC1=CC(=NC=2N1C=NC2C(=O)OCC)S(=O)(=O)C
3
[NH2:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[C:8]([C:12]#[N:13])=[CH:7][CH2:6][CH2:5]2.NC1C=C2C(=CC=1)C(=O)CCC2.[BH4-].[Na+]>CCO>[NH2:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[CH:8]([C:12]#[N:13])[CH2:7][CH2:6][CH2:5]2
2
[NH2:1][C:2]1[CH:11]=[CH:10][C:5]([C:6]([O:8][CH3:9])=[O:7])=[CH:4][C:3]=1[C:12]([O-:14])=O.[CH2:15]([N:22]=[C:23]=[S:24])[C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1.N1C=CC=CC=1>C(O)(=O)C>[CH2:15]([N:22]1[C:12](=[O:14])[C:3]2[C:2](=[CH:11][CH:10]=[C:5]([C:6]([O:8][CH3:9])=[O:7])[CH:4]=2)[NH:1][C:23]1=[S:24])[C:16]1[...
1
Cl[C:2]1[CH:7]=[C:6]([O:8][C:9]2[CH:10]=[CH:11][C:12]([NH:16][C:17]([NH:19][C:20](=[O:24])[CH:21]([CH3:23])[CH3:22])=[O:18])=[N:13][C:14]=2[CH3:15])[CH:5]=[CH:4][N:3]=1.C([O-])([O-])=O.[K+].[K+].CC1(C)C(C)(C)OB([C:39]2[CH:44]=[CH:43][N:42]=[C:41]([N:45]3[CH2:50][CH2:49][O:48][CH2:47][CH2:46]3)[CH:40]=2)O1>O1CCOCC1.O.C1...
1
[Si](C)(C)(C(C)(C)C)O[Si](C)(C)C(C)(C)C.CC=1N=C2N(CCCC2=O)C1C.C(C)OC(C(CNC1=CC=CC=C1)O)=O>>C(C)(C)(C)[Si](OC1C(C=2CCN3C(C2NC1C1=CC=CC=C1)=NC(=C3C)C)=O)(C)C
5
ClC=1C=2C(C=NC1)=CN(N2)C2=C(C=CC=C2Cl)Cl>O(O[H])[H].ClCCl.[O-2].[Mn+2].C[Re](=O)(=O)=O>ClC=1C=2C(C=[N+](C1)[O-])=CN(N2)C2=C(C=CC=C2Cl)Cl
3
[N+](=C)=[N-].C1(=O)C2C(C3C(C=2)=CC=CC=3)=CC=C1.C[O:19][C:20]1[C:21]2[C:26]([C:27]3[CH:28]=[CH:29][CH:30]=[CH:31][C:32]=3[CH:33]=1)=[CH:25][CH:24]=[CH:23][CH:22]=2.C1C2C=C(OC3C4C(C5C=CC=CC=5C=3)=CC=CC=4)C3C(=CC=CC=3)C=2C=CC=1>>[CH:31]1[C:32]2[CH:33]=[C:20]([OH:19])[C:21]3[C:26](=[CH:25][CH:24]=[CH:23][CH:22]=3)[C:27]=2...
1
C1CCCC2=CC=CC=C12>>C1=C(C=CC=2CCCCC12)S(=O)(=O)C1=CC=C(C=C1)C
5
OC1=C(C(=O)NC2=C(C(=O)NC3=NC=C(C=C3)Cl)C=CC=C2)C=CC(=C1)C(C)C>>ClC=1C=CC(=NC1)NC(C1=C(C=CC=C1)NC(C1=C(C=C(C=C1)C(C)C)OC1CNCC1)=O)=O
5
CN(C)C=C(C(=O)OCC)C(CC(C)C)=O>>C(C(C)C)C1=NNC=C1C(=O)OCC
5
Br[C:2]1[CH:3]=[C:4]([C:7]2[CH:12]=[CH:11][N:10]=[C:9]([C:13]([CH3:16])([CH3:15])[CH3:14])[CH:8]=2)[S:5][CH:6]=1.[Cl:17][C:18]1[CH:19]=[C:20]([NH:33][S:34]([CH3:37])(=[O:36])=[O:35])[CH:21]=[CH:22][C:23]=1B1OC(C)(C)C(C)(C)O1.C(=O)([O-])[O-].[Na+].[Na+]>CN(C=O)C.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(...
2
[CH2:1]([C@@H:7]1[O:11][C:10](C)(C)[O:9][C:8]1=[O:14])[CH2:2][CH2:3][CH2:4][CH2:5][CH3:6].S(=O)(=O)(O)O.C(=O)(O)[O-].[Na+]>CO>[OH:11][C@@H:7]([CH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[C:8]([O:9][CH3:10])=[O:14]
1
I[C:2]1[N:3]=[N:4][C:5]([CH3:8])=[CH:6][CH:7]=1.[Br-].[F:10][C:11]1[CH:16]=[CH:15][CH:14]=[C:13]([F:17])[C:12]=1[Zn+]>[OH-].[Na+]>[F:10][C:11]1[CH:16]=[CH:15][CH:14]=[C:13]([F:17])[C:12]=1[C:2]1[N:3]=[N:4][C:5]([CH3:8])=[CH:6][CH:7]=1
2
O=C(C(=O)OCC)C1C(CCC(C1)C(F)(F)F)=O>O.NN.C(C)(=O)O.C(O)([O-])=O.[Na+]>FC(C1CC=2C(=NNC2CC1)C(=O)OCC)(F)F
3
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][C:11](=[O:14])[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].Cl[Si:16]([CH3:19])([CH3:18])[CH3:17].CCN(CC)CC>CN(C=O)C.CCOCC>[C:1]([O:5][C:6]([N:8]1[CH2:9][CH:10]=[C:11]([O:14][Si:16]([CH3:19])([CH3:18])[CH3:17])[CH2:12][CH2:13]1)=[O:7])([CH3:4])([CH3:2])[CH3:3]
1
C(C1=CC=CC=C1)OC=1C=C(C(=O)OC)C(=CN1)\C=C\OCC>>C(C1=CC=CC=C1)OC1=NC=C2C=CN=C(C2=C1)O
5
C(O)(=O)C.[CH3:5][O:6][C:7]1[CH:8]=[C:9]2[C@H:26]3[C@H:17]([O:18][C:19]4[C:20]5[CH:31]=[CH:30][C:29]([CH3:33])([CH3:32])[O:28][C:21]=5[CH:22]=[CH:23][C:24]=4[C@H:25]3O)[CH2:16][O:15][C:10]2=[CH:11][C:12]=1[O:13][CH3:14]>O>[CH3:5][O:6][C:7]1[CH:8]=[C:9]2[C:26]3[C@H:17]([O:18][C:19]4[C:20]5[CH:31]=[CH:30][C:29]([CH3:33])...
2
[OH:1][CH2:2][C:3]#[C:4][C:5]1[S:9][C:8]([C:10]([O:12][CH3:13])=[O:11])=[CH:7][CH:6]=1>C(OCC)(=O)C.CO.[Pd]>[OH:1][CH2:2]/[CH:3]=[CH:4]\[C:5]1[S:9][C:8]([C:10]([O:12][CH3:13])=[O:11])=[CH:7][CH:6]=1
2
C(C)(C)(C)C=1N(C(C2=CC=C(C=C2C1C1=CC=CC=C1)OC)=O)C>ClCCl.B(Br)(Br)Br>C(C)(C)(C)C=1N(C(C2=CC=C(C=C2C1C1=CC=CC=C1)O)=O)C
3
Cl.C[C@@H]1NCCC1.NC1=NC2=CC=C(C=C2C(=N1)C(=O)N1CC2=CC=CC=C2C1)C1=C(C=O)C=CC=C1>C1CCCO1.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl>NC1=NC2=CC=C(C=C2C(=N1)C(=O)N1CC2=CC=CC=C2C1)C1=C(C=CC=C1)CN1[C@H](CCC1)C
3
[Cl:1][C:2]1[CH:10]=[C:9]([Cl:11])[CH:8]=[C:7]([Cl:12])[C:3]=1[C:4](Cl)=[O:5].Cl.[CH3:14][O:15][C:16]1[CH:17]=[C:18]([C:24]2[CH:25](C)[CH2:26][C:27](=[O:36])[N:28]([CH:30]3[CH2:35][CH2:34][NH:33][CH2:32][CH2:31]3)[N:29]=2)[CH:19]=[CH:20][C:21]=1[O:22][CH3:23].C(N1CCC(N2C(=O)CC(C)C(C3C=CC(OC)=C(OC)C=3)=N2)CC1)(=O)C>>[CH...
2
[N+:1]([C:4]1[CH:12]=[CH:11][C:7]([C:8](Cl)=[O:9])=[CH:6][CH:5]=1)([O-:3])=[O:2].[C:13]([NH:17][C:18]1[NH:19][C:20](=[O:45])[C:21]2[N:22]=[CH:23][N:24]([C:43]=2[N:44]=1)[C@:25]1([C:33](=[O:42])[CH2:34][O:35][C:36]2[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=2)[O:32][C@H:29]([CH2:30][OH:31])[C@@H:27]([OH:28])[CH2:26]1)([CH3:1...
1
ClC(=O)OCC1=CC=CC=C1.C(C)(C)N[C@H]1CN(CC1)C(=O)OC(C)(C)C>C1CCCO1.C(C)(C)N(C(C)C)CC>C(C1=CC=CC=C1)OC(=O)N([C@H]1CN(CC1)C(=O)OC(C)(C)C)C(C)C
3
[C-]#N.[Na+].C(=O)C1=C(C=CC=C1)B(O)O>O.Cl>OB1OC(C2=C1C=CC=C2)C#N
3
C(OC(=O)[NH:7][CH2:8][CH2:9][CH2:10][O:11][C:12]1[CH:17]=[CH:16][C:15]([NH:18][C:19]2[S:20][C:21]([C:25](=[O:35])[C:26]3[CH:31]=[CH:30][C:29]([O:32][CH3:33])=[C:28]([F:34])[CH:27]=3)=[C:22]([NH2:24])[N:23]=2)=[CH:14][CH:13]=1)(C)(C)C.FC(F)(F)C(O)=O>ClCCl>[NH2:24][C:22]1[N:23]=[C:19]([NH:18][C:15]2[CH:16]=[CH:17][C:12](...
1
C(OC([NH:8][CH:9]1[CH2:14][CH2:13][N:12]([CH2:15][CH2:16][N:17]2[C:22]3[CH:23]=[C:24]([C:27]([O:29][CH3:30])=[O:28])[CH:25]=[CH:26][C:21]=3[O:20][CH2:19][C:18]2=[O:31])[CH2:11][CH2:10]1)=O)(C)(C)C.NC1CCN(CCN2C3C(=CC=C(C#N)C=3)C=CC2=O)CC1>>[NH2:8][CH:9]1[CH2:14][CH2:13][N:12]([CH2:15][CH2:16][N:17]2[C:22]3[CH:23]=[C:24]...
1
C(C)(C)OB(OC(C)C)OC(C)C.ClC1=CC=2N(C=CC2S1)C(=O)OC(C)(C)C>>C(C)(C)(C)OC(=O)N1C2=C(C=C1B(O)O)SC(=C2)Cl
5
[CH3:1][C:2]1[S:3][C:4]([Sn](CCCC)(CCCC)CCCC)=[C:5]([C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=2)[N:6]=1.[CH:26]([S:29]([N:32]1[C:36]2[CH:37]=[C:38](I)[CH:39]=[CH:40][C:35]=2[N:34]=[C:33]1[NH2:42])(=[O:31])=[O:30])([CH3:28])[CH3:27]>CN(C)C=O.C(OCC)(=O)C>[CH:26]([S:29]([N:32]1[C:36]2[CH:37]=[C:38]([C:4]3[S:3][C:2]([CH3:1...
1
C(C1=CC=CC=C1)(=O)O.C(C1=CC=CC=C1)OC(=O)N1CC2C(C1)C(CC2)O>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OC(C)C)C(=O)OC(C)C>C(C1=CC=CC=C1)OC(=O)N1CC2C(C1)C(CC2)OC(C2=CC=CC=C2)=O
3
ClC1=NC=CC(=N1)C1=CN(C2=CC=C(C=C12)C1=NN=C(O1)NC(C)C)S(=O)(=O)C1=CC=C(C)C=C1>>C(C)(C)NC=1OC(=NN1)C=1C=C2C(=CNC2=CC1)C1=NC(=NC=C1)NC(C)C
5
C1(CC1)C(=O)NC1=NN2C(C=C(C=C2)C=2C(=NOC2C)O[C@@H]2C[C@H](C2)NC(OC(C)(C)C)=O)=C1>C(=O)(C(F)(F)F)O>NC1CC(C1)OC1=NOC(=C1C1=CC=2N(C=C1)N=C(C2)NC(=O)C2CC2)C
3
S1C=NC2=C1C=C(C=C2)NC2=CC(=C(C=N2)C=2SC=C(N2)C(=O)OCC)NC(C)C>CO[H].N>S1C=NC2=C1C=C(C=C2)NC2=CC(=C(C=N2)C=2SC=C(N2)C(=O)N)NC(C)C
3
[F:1][C:2]1[CH:22]=[C:21]([N+:23]([O-:25])=[O:24])[CH:20]=[CH:19][C:3]=1[O:4][C:5]1[CH:10]=[CH:9][N:8]=[C:7]2[CH:11]=[C:12]([C:14]3SC=C[N:18]=3)[S:13][C:6]=12.ClC1C=CN=C2C=C(C#N)SC=12>>[F:1][C:2]1[CH:22]=[C:21]([N+:23]([O-:25])=[O:24])[CH:20]=[CH:19][C:3]=1[O:4][C:5]1[CH:10]=[CH:9][N:8]=[C:7]2[CH:11]=[C:12]([C:14]#[N:1...
1
C1(CC1)C1=C(C=CC=C1)C1N(CC(C1)F)C(=O)OC(C)(C)C>>C1(CC1)C1=C(C=CC=C1)C1NCC(C1)F
5
CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]1CN(C2=C(O1)C=CC(=C2)NC(=O)OC(C)(C)C)S(=O)(=O)C2=CC(=CC=C2)C(F)(F)F>CC(=O)C.[I-].[Na+]>IC[C@H]1CN(C2=C(O1)C=CC(=C2)NC(OC(C)(C)C)=O)S(=O)(=O)C2=CC(=CC=C2)C(F)(F)F
3
Br[C:2]1[CH:10]=[C:9]([CH3:11])[C:5]2[NH:6][CH:7]=[N:8][C:4]=2[CH:3]=1.[CH3:12][N:13](C=O)C>[C-]#N.[Zn+2].[C-]#N.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(P(C2C=CC=CC=2)[C-]2C=CC=C2)C=CC=CC=1.[C-]1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=...
1
[Br-].C(C)OC(CC[Zn+])=O.BrC1=NC=C(C#N)C=C1>>C(C)OC(CCC1=NC=C(C=C1)C#N)=O
5
[C:1](=[O:4])([O-])[O-:2].[K+].[K+].[CH3:7][N:8]1[C:12](C=O)=[C:11]([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)[N:10]=[CH:9]1.[Mn]([O-])(=O)(=O)=O.[K+]>CC(C)=O.O>[CH3:7][N:8]1[C:12]([C:1]([OH:2])=[O:4])=[C:11]([C:15]2[CH:16]=[CH:17][CH:18]=[CH:19][CH:20]=2)[N:10]=[CH:9]1
1
C(C)OC(C(C)(C)OC=1C=NC(=CC1)NC=1C(N(N=C(C1)Cl)C)=O)=O>>ClC=1C=C(C(N(N1)C)=O)NC1=NC=C(C=C1)OC(CO)(C)C
5
ClC1=C(C=C(C(=C1)F)[N+](=O)[O-])N.ClCC=1C(=CC(=NC1)N(C)OC)NC>c1ccncc1>ClC1=C(C=C(C(=C1)F)[N+](=O)[O-])NCC=1C(=CC(=NC1)N(C)OC)NC
3
CO[C:3]1[CH:8]=[CH:7][C:6]([O:9]C)=[CH:5][C:4]=1[CH2:11][C:12]([C:14]1[CH:19]=[CH:18][C:17]([O:20]C)=[C:16]([F:22])[CH:15]=1)=[O:13].Cl>>[F:22][C:16]1[CH:15]=[C:14]([C:12]2[O:13][C:3]3[CH:8]=[CH:7][C:6]([OH:9])=[CH:5][C:4]=3[CH:11]=2)[CH:19]=[CH:18][C:17]=1[OH:20]
1
CC1=CC=C(S1)C=1C(=C(C=NC1)N)[N+](=O)[O-]>O.CO[H].[Fe].[Cl-].[NH4+]>CC1=CC=C(S1)C=1C(=C(C=NC1)N)N
3
[CH2:1]([N:5]1[CH:10]=[CH:9][C:8](C)=[C:7]([OH:12])[C:6]1=[S:13])[CH2:2][CH2:3][CH3:4].[H-].[Na+].Cl[C:17]1[O:18][C:19]2[CH:25]=[CH:24][CH:23]=[CH:22][C:20]=2[N:21]=1.CN([CH:29]=[O:30])C>>[O:18]1[C:19]2[CH:25]=[CH:24][CH:23]=[CH:22][C:20]=2[N:21]=[C:17]1[O:12][C:7]1[C:6](=[S:13])[N:5]([CH2:1][CH2:2][CH2:3][CH3:4])[CH:1...
1
[NH2:1][C:2]1[N:7]=[CH:6][C:5]([C:8]([N:10]=[S:11]([CH2:14][CH2:15][CH2:16][CH2:17][C:18]([O:20][CH3:21])=[O:19])([CH3:13])=[O:12])=[O:9])=[CH:4][C:3]=1[C:22]#[C:23][C:24]1[CH:29]=[CH:28][CH:27]=[C:26]([NH2:30])[CH:25]=1.[CH3:31][O:32][C:33]1[CH:34]=[C:35]([CH:39]=[CH:40][CH:41]=1)[C:36](O)=[O:37]>>[NH2:1][C:2]1[N:7]=[...
1
[Br:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([N+:8]([O-])=O)[CH:3]=1.P(O[CH2:20][CH3:21])(OCC)(OCC)=O>>[Br:1][C:2]1[CH:7]=[CH:6][C:5]2[C:20]3[C:21](=[CH:7][CH:2]=[CH:3][CH:4]=3)[NH:8][C:4]=2[CH:3]=1
1
COC1=CC=C(COC=2C=CC=C3C(=CC=NC23)N2CCN(CC2)CCO)C=C1>ClCCl.CCN(CC)CC.C(C(=O)Cl)(=O)Cl.CS(=O)C>COC1=CC=C(COC=2C=CC=C3C(=CC=NC23)N2CCN(CC2)CC=O)C=C1
3
C(C)(C)(C)OC(=O)N1CCC(CC1)=CC1=CC2=CC=CC=C2C=C1>CCO[H].[HH].[Pd]>C1=C(C=CC2=CC=CC=C12)CC1CCN(CC1)C(=O)OC(C)(C)C
3
C(CC#C)O.C(C)(C)(C)N1C(C2=C(C(=C3N2CCC=2C=C(C(=CC32)N=[N+]=[N-])OC)C=3SC=CC3)CCCC1)=O>CCO[H].[O-]S(=O)(=O)[O-].[Cu+2].O=C1C(O)=C([O-])[C@H](O1)[C@@H](O)CO.[Na+].C(C1=CC=CC=C1)C(C=1N=NNC1)N(C(CC1=CC=CC=C1)C=1N=NNC1)C(CC1=CC=CC=C1)C=1N=NNC1>C(C)(C)(C)N1C(C2=C(C(=C3N2CCC=2C=C(C(=CC32)N3N=NC(=C3)CCO)OC)C=3SC=CC3)CCCC1)=O
3
O1CCCOB1[C:7]1[CH:14]=[CH:13][CH:12]=[CH:11][C:8]=1[C:9]#[N:10].Br[C:16]1[CH:22]=[C:21]([C:23]([CH3:26])([CH3:25])[CH3:24])[CH:20]=[CH:19][C:17]=1[NH2:18].C([O-])([O-])=O.[K+].[K+].C1(C)C=CC=CC=1>C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=C...
1
C1(=CC=C(C=C1)C1=NC(=NC(=N1)C1=CC=C(C=C1)C1=CC=CC=C1)C1=CC=C(C=C1)Br)C1=CC=CC=C1.CC1=NC(=NC(=C1)C)C1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C>>C1(=CC=C(C=C1)C1=NC(=NC(=N1)C1=CC=C(C=C1)C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=NC(=CC(=N1)C)C)C1=CC=CC=C1
5
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[S:26][CH:11]3[C:12](=[O:25])[N:13]([C:16]4[CH:21]=[CH:20][C:19]([OH:22])=[C:18]([O:23][CH3:24])[CH:17]=4)[CH:14]=[CH:15][CH:10]3[CH:9]=2)=[CH:4][CH:3]=1.C([O-])([O-])=O.[K+].[K+].Cl.Cl[CH2:35][C:36]1[N:40]([CH3:41])[CH:39]=[N:38][CH:37]=1.Cl>CN1C(=O)CCC1.C(Cl)(Cl)Cl.CO.CCO.CCOC(C)=...
1
[N+](=O)([O-])C=1C(=CC2=C(CC3(CCOCC3)O2)C1)N1CCOCC1>CO[H].[HH].[Pd]>O1CCN(CC1)C1=CC2=C(CC3(CCOCC3)O2)C=C1N
3
CI.BrC1=CC=C(C(=N1)C(=O)OC)O>>BrC1=CC=C(C(=N1)C(=O)OC)OC
5
[Si]([O:8][CH2:9][CH:10]1[O:14][N:13]=[C:12]([C:15]2[CH:20]=[CH:19][C:18]([C:21]3[CH:26]=[CH:25][C:24]([N:27]4[CH2:31][C@H:30]([CH2:32][N:33]5[CH:37]=[C:36]([CH3:38])[N:35]=[N:34]5)[O:29][C:28]4=[O:39])=[CH:23][C:22]=3[F:40])=[CH:17][CH:16]=2)[CH2:11]1)(C(C)(C)C)(C)C.[F-].C([N+](CCCC)(CCCC)CCCC)CCC>O1CCCC1>[F:40][C:22]...
1
C(C)I.BrC1=CC(=C2C=NNC2=C1)F>C([O-])([O-])=O.[K+].[K+].CS(=O)C>BrC1=CC(=C2C=NN(C2=C1)CC)F.BrC=1C=C(C2=CN(N=C2C1)CC)F
3
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([S:8][C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=2[NH:15]C(=O)C)=[C:4]([NH:19][C:20]2[C:29]3[C:24](=[N:25][C:26]([CH2:30][CH2:31][CH3:32])=[CH:27][CH:28]=3)[N:23]=[CH:22][CH:21]=2)[CH:3]=1.O.[OH-].[Na+]>Cl>[NH2:15][C:10]1[CH:11]=[CH:12][CH:13]=[CH:14][C:9]=1[S:8][C:5]1[CH:6]=[CH:7][C:2]([...
1
[NH2:1][CH2:2][CH2:3][N:4]1[C:16]2[C:15]3[CH:14]=[CH:13][C:12]([C:17]4[CH:18]=[N:19][CH:20]=[CH:21][CH:22]=4)=[CH:11][C:10]=3[N:9]=[C:8]([NH2:23])[C:7]=2[N:6]=[C:5]1[CH2:24][CH2:25][CH2:26][CH3:27].C(N(CC)CC)C.[C:35](Cl)(=[O:39])[CH:36]([CH3:38])[CH3:37]>>[NH2:23][C:8]1[C:7]2[N:6]=[C:5]([CH2:24][CH2:25][CH2:26][CH3:27]...
1
IC1=CC=C(C=C1)OC.C(CCC)OC(C=C)=O>O.C([O-])([O-])=O.[K+].[K+].CN1C(CCC1)=O>C(CCC)OC(C=CC1=CC=C(C=C1)OC)=O
3
[Cl:1][C:2]1[C:3]([OH:11])=[C:4]([CH:8]=[CH:9][CH:10]=1)[C:5]([OH:7])=O.[CH2:12]([NH:14][CH2:15][CH3:16])[CH3:13].F[P-](F)(F)(F)(F)F.N1(O[P+](N2CCCC2)(N2CCCC2)N2CCCC2)C2C=CC=CC=2N=N1>C(Cl)Cl>[CH2:12]([N:14]([CH2:15][CH3:16])[C:5](=[O:7])[C:4]1[CH:8]=[CH:9][CH:10]=[C:2]([Cl:1])[C:3]=1[OH:11])[CH3:13]
1
ClC1=NC(=CC2=C1N=CN2C2OCCCC2)Cl>C1CCCO1.CC(=O)C.CCCCCCC.C(C)(C)[N-]C(C)C.[Li+].[Cl-].[NH4+].C(C)C1=CC=CC=C1>ClC1=NC(=C2N=C(N(C2=N1)C1OCCCC1)C(C)(C)O)Cl
3
[C:1]([CH2:3][C@H:4]1[O:9][C:8]2([CH2:14][CH2:13][CH2:12][CH2:11][CH2:10]2)[O:7][C@@H:6]([CH2:15][C:16]([O:18][C:19]([CH3:22])([CH3:21])[CH3:20])=[O:17])[CH2:5]1)#[N:2].N.[H][H]>CO.O>[NH2:2][CH2:1][CH2:3][C@H:4]1[O:9][C:8]2([CH2:14][CH2:13][CH2:12][CH2:11][CH2:10]2)[O:7][C@@H:6]([CH2:15][C:16]([O:18][C:19]([CH3:22])([C...
1
[CH3:1][O:2][C:3]1[C:4]([CH2:13][N:14]2[CH:19]=[CH:18][CH:17]=[C:16]([C:20](O)=[O:21])[C:15]2=[O:23])=[CH:5][C:6]2[C:11]([CH:12]=1)=[CH:10][CH:9]=[CH:8][CH:7]=2.[NH2:24][C@@H:25]([CH2:33][CH2:34][CH2:35][NH:36][C:37]([NH:39][S:40]([C:43]1[C:44]([CH3:57])=[C:45]2[C:50](=[C:51]([CH3:54])[C:52]=1[CH3:53])[O:49][C:48]([CH3...
2
BrC1=C(C=NC(=C1)C)OCC=1N=C(SC1)NC(C)=O>N(C)(C)C=O.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C(=O)([O-])[O-].[Cs+].[Cs+].[B-](F)(F)(F)F.CCCC[PH+](CCCC)CCCC>CC1=NC=C2OCC3=C(C2=C1)SC(=N3)NC(C)=O
3
CC=1NC=CN1.N1=C(C=CC=C1)C(=O)C1=C(C=CC=C1)N=NC(C(=O)OCC)NC(CCl)=O>CCO[H]>N1=C(C=CC=C1)C(=O)C1=C(C=CC=C1)N1N=C(N=C1CCl)C(=O)OCC
3
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.BrC=1C=CC(=NC1)N1CCNCC(C1)O>ClCCl.C(C)(C)N(C(C)C)CC>BrC=1C=CC(=NC1)N1CCN(CC(C1)O)C(=O)OC(C)(C)C
3
C(N(CC)CC)C.[F:8][C:9]([F:22])([F:21])[S:10]([O:13]S(C(F)(F)F)(=O)=O)(=[O:12])=[O:11].O[C:24]1[CH:25]=[C:26]2[C:31](=[CH:32][CH:33]=1)[CH2:30][N:29]([C:34]([O:36][C:37]([CH3:40])([CH3:39])[CH3:38])=[O:35])[CH2:28][CH2:27]2.C(=O)([O-])O.[Na+]>ClCCl>[F:8][C:9]([F:22])([F:21])[S:10]([O:13][C:24]1[CH:25]=[C:26]2[C:31](=[CH...
1
[Cl:1][C:2]1[C:3]([O:17]C)=[C:4]([C:13]([O:15]C)=[O:14])[C:5]2[O:9][C:8]([CH2:10][CH3:11])=[CH:7][C:6]=2[CH:12]=1.B(Br)(Br)Br>ClCCl>[Cl:1][C:2]1[C:3]([OH:17])=[C:4]([C:13]([OH:15])=[O:14])[C:5]2[O:9][C:8]([CH2:10][CH3:11])=[CH:7][C:6]=2[CH:12]=1
2
NC1=CC(NC(N1C)=O)=O>N(=O)[O-].[Na+].[Pt]>NC1=C(C(NC(N1C)=O)=O)NC=O
3
COC(=O)C=1SC(=CC1N(C(=O)[C@@H]1CC[C@H](CC1)C)[C@@H]1CC[C@H](CC1)O)C#CC(C)(C)C>>CC(C#CC1=CC(=C(S1)C(=O)O)N(C(=O)[C@@H]1CC[C@H](CC1)C)[C@@H]1CC[C@H](CC1)O)(C)C
5
I[C:2]1[C:9](=[O:10])[N:5]2[CH2:6][CH2:7][CH2:8][N:4]2[C:3]=1[C:11]1[CH:16]=[CH:15][N:14]=[C:13]([S:17][CH3:18])[N:12]=1.C([Mg]Cl)(C)C.[Cl:24][C:25]1[CH:32]=[CH:31][CH:30]=[CH:29][C:26]=1[CH:27]=[O:28]>C1COCC1>[Cl:24][C:25]1[CH:32]=[CH:31][CH:30]=[CH:29][C:26]=1[CH:27]([OH:28])[C:2]1[C:9](=[O:10])[N:5]2[CH2:6][CH2:7][C...
1
[CH2:1]([CH:3]1[CH2:7][CH:6]([OH:8])[CH2:5][CH:4]1[C:9]([O:11][CH2:12][CH3:13])=[O:10])[CH3:2].[OH-].[K+].[Cl:16][C:17]([Cl:21])([Cl:20])[C:18]#[N:19]>C(Cl)Cl.S([O-])(O)(=O)=O.C([N+](CCCC)(CCCC)CCCC)CCC>[CH2:1]([CH:3]1[CH2:7][CH:6]([O:8][C:18](=[NH:19])[C:17]([Cl:21])([Cl:20])[Cl:16])[CH2:5][CH:4]1[C:9]([O:11][CH2:12][...
1
[F:1][C:2]1[C:3]([N:9]=[CH:10][N:11]([CH3:13])[CH3:12])=[N:4][C:5]([OH:8])=[N:6][CH:7]=1.[CH2:14]([N:17]=[C:18]=[O:19])[CH2:15][CH3:16]>ClCCl>[CH2:14]([NH:17][C:18]([N:6]1[CH:7]=[C:2]([F:1])[C:3]([N:9]=[CH:10][N:11]([CH3:13])[CH3:12])=[N:4][C:5]1=[O:8])=[O:19])[CH2:15][CH3:16]
1
OCCOCC1C(C(N(C1)CC1=CC=C(C=C1)OC)=O)=C>O.ClCCl.CCN(CC)CC.C1(=CC=C(C=C1)S(=O)(=O)Cl)C>CC1=CC=C(C=C1)S(=O)(=O)OCCOCC1CN(C(C1=C)=O)CC1=CC=C(C=C1)OC
3
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:9]=[C:10]3[N:14]([C:15]=2[CH2:16][OH:17])[CH:13]=[C:12]([C:18]([O-:20])=O)[S:11]3)=[CH:4][CH:3]=1.[Na+].[CH3:22][N:23]1[CH2:28][CH2:27][NH:26][CH2:25][CH2:24]1.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.[B-](F)(F)(F)F.C(N(CC)CC)C>CN(C=O)C>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2[N:9]=[C:10...
2
[CH3:1][Si:2]([O:5][CH2:6][CH2:7][NH:8][CH2:9][CH2:10][O:11][Si:12]([CH3:15])([CH3:14])[CH3:13])([CH3:4])[CH3:3].C(N(CC)CC)C.[C:23]1([S:29](Cl)(=[O:31])=[O:30])[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1>C1C=CC=CC=1>[CH3:13][Si:12]([CH3:15])([CH3:14])[O:11][CH2:10][CH2:9][N:8]([CH2:7][CH2:6][O:5][Si:2]([CH3:1])([CH3:3])[CH...
1
C(C1=CC=CC=C1)N.C(C)OC(OCC)OCC.C(C)OC(C(C#N)N)=O>>C(C)OC(=O)C=1N=CN(C1N)CC1=CC=CC=C1
5
[CH:1]1([S:4]([C:7]2[CH:12]=[CH:11][C:10]([CH:13]([C:21]3[NH:22][C:23]([C:26]4[CH:31]=[CH:30][CH:29]=[CH:28][N:27]=4)=[CH:24][N:25]=3)[CH2:14][CH:15]3[CH2:20][CH2:19][O:18][CH2:17][CH2:16]3)=[CH:9][CH:8]=2)(=[O:6])=[O:5])[CH2:3][CH2:2]1.[Xe](F)[F:33].C(=O)([O-])O.[Na+]>C(#N)C>[CH:1]1([S:4]([C:7]2[CH:12]=[CH:11][C:10]([...
1