Datasets:
Derify
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ReactionSmiles

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xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
FC(C1=CC=C(C=C1)C=1C=CC(=NC1)CO)(F)F>N(C)(C)C=O.ClS(Cl)=O>ClCC1=NC=C(C=C1)C1=CC=C(C=C1)C(F)(F)F
3
C([O:3][C:4]([C:6]1([NH:15][C:16](=[O:31])[C:17]2[CH:22]=[CH:21][CH:20]=[C:19]([C:23]([F:26])([F:25])[F:24])[C:18]=2[CH:27]=[C:28]([CH3:30])[CH3:29])[CH2:14][C:13]2[C:8](=[CH:9][CH:10]=[CH:11][CH:12]=2)[CH2:7]1)=[O:5])C.[OH-].[K+]>CCO>[CH3:29][C:28]([CH3:30])=[CH:27][C:18]1[C:19]([C:23]([F:24])([F:25])[F:26])=[CH:20][C...
1
COCCCN.CC1=C(C(=NO1)C1=CC=CC=C1)COC1=NC=C(C(=O)O)C=C1>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.[B-](F)(F)(F)F>COCCCNC(C1=CN=C(C=C1)OCC=1C(=NOC1C)C1=CC=CC=C1)=O
3
Br[C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]=[CH:7][N:6]([C:12](=[O:16])[CH2:13][CH2:14][OH:15])[C:5]2=[O:17].[Cl:18][C:19]1[CH:24]=[CH:23][CH:22]=[C:21]([O:25][CH3:26])[C:20]=1B(O)O.C(=O)([O-])[O-].[K+].[K+].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C(=O)(O)[O-]>CN(C)C(=O)C.C(O)C.O.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O...
1
[C:1]([O:8][CH3:9])(=[O:7])[CH2:2][C:3]([O:5][CH3:6])=[O:4].[CH3:10][N:11]([CH:13](OC)OC)[CH3:12]>>[CH3:10][N:11]([CH:13]=[C:2]([C:1]([O:8][CH3:9])=[O:7])[C:3]([O:5][CH3:6])=[O:4])[CH3:12]
1
[OH:1][CH2:2][CH2:3][N:4]([CH2:18][CH2:19][C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1)[C:5](=[O:17])[NH:6][C@@H:7]([CH2:13][CH:14]([CH3:16])[CH3:15])[C:8]([O:10]CC)=[O:9].[OH-].[Li+].C(O)(=O)CC(CC(O)=O)(C(O)=O)O>O1CCCC1.C(O)C>[OH:1][CH2:2][CH2:3][N:4]([CH2:18][CH2:19][C:20]1[CH:21]=[CH:22][CH:23]=[CH:24][CH:25]=1)[C...
1
C([O:3][C:4](=[O:33])[CH:5]([CH2:31][CH3:32])[CH2:6][CH2:7][N:8]1[C:28](=[S:29])[N:11]2[C:12]3[CH:13]=[C:14]([C:18]4[CH:23]=[CH:22][CH:21]=[C:20]([C:24]([F:27])([F:26])[F:25])[CH:19]=4)[O:15][C:16]=3[CH:17]=[C:10]2[C:9]1=[O:30])C>FC(F)(F)C(O)=O.O>[CH2:31]([CH:5]([CH2:6][CH2:7][N:8]1[C:28](=[S:29])[N:11]2[C:12]3[CH:13]=...
1
ClC1=NC=C(C=C1Cl)Cl.OCC1CCC2N(CCNC2)C1>C([O-])([O-])=O.[Na+].[Na+].C(CC(C)C)O>OCC1CCC2N(CCN(C2)C2=NC=C(C=C2Cl)Cl)C1
3
[C:1]([C:5]1[C:6](=[O:15])[NH:7][C:8]2[C:13]([CH:14]=1)=[CH:12][CH:11]=[CH:10][CH:9]=2)([CH3:4])([CH3:3])[CH3:2].Br[CH2:17][C:18](=[O:23])[C:19]([CH3:22])([CH3:21])[CH3:20].[C:24](=O)([O-])[O-:25].[Cs+].[Cs+]>CN(C=O)C>[C:1]([C:5]1[C:6](=[O:15])[N:7]([CH2:17][C:18](=[O:23])[C:19]([CH3:22])([CH3:21])[CH3:20])[C:8]2[C:13]...
2
COC(=O)C=1C=NC(=NC1)N1CCN(CC1)C(=O)OC(C)(C)C>>COC(=O)C=1C=NC(=NC1)N1CCNCC1
5
BrC1=C(C(=O)OC)C=C(C=C1)CBr.ClC=1C=C(C=CC1Cl)C(C)(C)C1=CN=C(N1C1=CC(=C(C=C1)F)OC)S>>BrC1=C(C(=O)OC)C=C(C=C1)CSC=1N(C(=CN1)C(C)(C)C1=CC(=C(C=C1)Cl)Cl)C1=CC(=C(C=C1)F)OC
5
O1N=C(C=C1)C1CCN(CC1)C(=O)OC(C)(C)C>ClCCl.C(=O)(C(F)(F)F)O>N1CCC(CC1)C1=NOC=C1
3
ClCCS(=O)(=O)Cl.C1(CCCCC1)OC1=CC=C(C=C1)C=1C(=NC=CC1)N>C1CCCO1.CCO[H].CS(=O)C.[H-].[Na+]>C1(CCCCC1)OC1=CC=C(C=C1)C1=CC=CN2C1=NS(CC2)(=O)=O
3
[Cl:1][C:2]1[CH:16]=[CH:15][CH:14]=[CH:13][C:3]=1[CH2:4][C:5]1[O:9][N:8]=[C:7]([C:10]([OH:12])=O)[CH:6]=1.[O:17]1[CH2:21][CH2:20][CH:19]([CH2:22][NH2:23])[CH2:18]1.ON1C2C=CC=CC=2N=N1.Cl.C(N=C=NCCCN(C)C)C>O.C(Cl)(Cl)Cl>[O:17]1[CH2:21][CH2:20][CH:19]([CH2:22][NH:23][C:10]([C:7]2[CH:6]=[C:5]([CH2:4][C:3]3[CH:13]=[CH:14][C...
2
[CH3:1][O:2][C:3](=[O:13])[C:4](=[O:12])[C:5]1[CH:10]=[CH:9][C:8](O)=[CH:7][CH:6]=1.[H-].[Na+].S([O-])(=O)(=O)C.C1(OCCO)C2C(=CC=CC=2)C=CC=1>CN(C)C=O>[CH3:1][O:2][C:3](=[O:13])[C:4](=[O:12])[C:5]1[CH:6]=[CH:7][CH:8]=[CH:9][CH:10]=1
1
[OH:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][CH2:9][CH2:10][C:11]([O:13][CH3:14])=[O:12])=[CH:4][C:3]=1[C:15]1[CH:20]=[C:19]([CH2:21][CH2:22][CH2:23][C:24]([O:26][CH3:27])=[O:25])[CH:18]=[CH:17][C:16]=1[OH:28].[CH:29]1([CH2:35]Br)[CH2:34][CH2:33][CH2:32][CH2:31][CH2:30]1.C(=O)([O-])[O-].[K+].[K+]>[Cu].CN(C=O)C>[CH:29]1([CH2:...
1
C(C)(C)(C)OC(=O)N(C(OC(C)(C)C)=O)C1=N[C@]([C@@H]2CC[C@]1(S2(=O)=O)CF)(C)C2=C(C=CC(=C2)[N+](=O)[O-])F>>NC=1C=CC(=C(C1)[C@@]1([C@@H]2CC[C@](C(=N1)N(C(OC(C)(C)C)=O)C(=O)OC(C)(C)C)(S2(=O)=O)CF)C)F
5
C(CO)O.BrC1CC(C1)=O>C1=CC=CC=C1.C1(=CC=C(C=C1)S(=O)(=O)[O-])C.[NH+]1=CC=CC=C1>BrC1CC2(C1)OCCO2
3
[C:1]([C:5]1[CH:24]=[CH:23][C:8]([C:9]([NH:11][C:12]2[CH:22]=[CH:21][C:15]([C:16]([O:18][CH2:19][CH3:20])=[O:17])=[CH:14][CH:13]=2)=O)=[CH:7][CH:6]=1)([CH3:4])([CH3:3])[CH3:2].P(Cl)(Cl)(Cl)(Cl)Cl.[NH2:31][C:32]1[CH:42]=[CH:41][C:35]([C:36]([O:38][CH2:39][CH3:40])=[O:37])=[CH:34][CH:33]=1>>[CH2:19]([O:18][C:16]([C:15]1[...
1
ClC1=C(C=C2C(=CNC2=C1)C(=O)OC)B1OCC(CO1)(C)C.BrC1=CC(=C(C=C1)C1(CCC1)CO)OC>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]>ClC1=C(C=C2C(=CNC2=C1)C(=O)OC)C1=CC(=C(C=C1)C1(CCC1)CO)OC
3
CC1=NC=CC2=C1N=C(N=C2N2CCN(CC2)C(=O)O)C2=CC=NC=C2>ClCCl.Cl>CC1=NC=CC2=C1N=C(N=C2N2CCNCC2)C2=CC=NC=C2
3
[CH2:1]([C:3]1[S:28][C:6]2[N:7]([CH2:13][C:14]3[CH:19]=[CH:18][C:17]([C:20]4[C:21]([C:26]#[N:27])=[CH:22][CH:23]=[CH:24][CH:25]=4)=[CH:16][CH:15]=3)[C:8](=[O:12])[NH:9][C:10](=[O:11])[C:5]=2[CH:4]=1)[CH3:2].Br[CH2:30][C:31]([C:33]1[CH:38]=[CH:37][C:36]([O:39][CH3:40])=[CH:35][C:34]=1[O:41][CH3:42])=[O:32].CN(C)C=O.[H-]...
1
C(C1=CC=CC=C1)OC=1C=C2C=3CC(CCC3NC2=CC1)N>CCO[H].[HH].[Al].[Ni]>OC=1C=C2C=3CC(CCC3NC2=CC1)N
3
FC=1C=C(C(=C2CCCC12)N=C=O)C1=CC=NC=C1.CN(C1=CN=CC(=N1)S(=O)(=O)N)C>C1CCCO1.CC(C)(C)[O-].[Na+]>CN(C1=CN=CC(=N1)S(=O)(=O)NC(NC1=C2CCCC2=C(C=C1C1=CC=NC=C1)F)=O)C
3
[CH2:1]([N:3]([CH2:22][CH2:23][OH:24])[C:4]1[CH:9]=[CH:8][C:7]([C:10]2[C:19]3[C:14](=[CH:15][CH:16]=[CH:17][CH:18]=3)[C:13](=[O:20])[C:12](=O)[CH:11]=2)=[CH:6][CH:5]=1)[CH3:2].Cl.[NH2:26][OH:27]>C(O)C>[CH2:1]([N:3]([CH2:22][CH2:23][OH:24])[C:4]1[CH:9]=[CH:8][C:7]([C:10]2[C:19]3[C:14](=[CH:15][CH:16]=[CH:17][CH:18]=3)[C...
1
FC1=CC=C(C=C1)NC1=NC=NC2=CC(=C(C=C12)O)OC.ClCCCN1CC2C(CC1)COC2>N(C)(C)C=O.ClCCl.C([O-])([O-])=O.[K+].[K+]>FC1=CC=C(C=C1)NC1=NC=NC2=CC(=C(C=C12)OCCCN1CC2C(CC1)COC2)OC
3
[NH2:1][C:2]1[C:27]([O:28][C:29]2[CH:34]=[CH:33][C:32]([F:35])=[CH:31][CH:30]=2)=[CH:26][CH:25]=[CH:24][C:3]=1[C:4]([NH:6][CH2:7][C:8]1([OH:23])[CH2:13][CH2:12][N:11]([C:14](=[O:22])[C:15]2[CH:20]=[CH:19][C:18]([F:21])=[CH:17][CH:16]=2)[CH2:10][CH2:9]1)=[O:5].[CH:36](OC)(OC)OC>>[F:21][C:18]1[CH:17]=[CH:16][C:15]([C:14]...
2
C1=NC=CC2=CC(=CC=C12)C=O>>O1C=NC=C1C=1C=C2C=CN=CC2=CC1
5
FC1=CC=C(C=C1)C(=O)C1OC1C1=CC=CC=C1>O.C(C)(=O)OCC.C([O-])([O-])=O.[Na+].[Na+].S(=O)([O-])S(=O)[O-].[Na+].[Na+].[Br-].NC(=O)C=1C=[N+](C=CC1)CC1=CC=CC=C1>FC1=CC=C(C=C1)C(CC(C1=CC=CC=C1)O)=O
3
[Br:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][C:10]=1[O:11]C)[NH:7][N:6]=[C:5]2[CH2:13][C:14]1[CH:19]=[CH:18][CH:17]=[C:16]([CH3:20])[CH:15]=1.B(Br)(Br)Br>ClCCl>[Br:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][C:10]=1[OH:11])[NH:7][N:6]=[C:5]2[CH2:13][C:14]1[CH:19]=[CH:18][CH:17]=[C:16]([CH3:20])[CH:15]=1
1
[C:1]1([C:7]2[CH:12]=[CH:11][N:10]=[C:9]([C:13](N)=[O:14])[CH:8]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.P(=O)(O)(O)O.O>C1(C)C=CC=CC=1>[C:1]1([C:7]2[CH:12]=[CH:11][N:10]=[C:9]([CH2:13][OH:14])[CH:8]=2)[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1
1
BrC=1C(=NC(=NC1OC)N(CC1=CC=C(C=C1)OC)CC1=CC=C(C=C1)OC)OC>O(O[H])[H].C1CCCO1.C(CCC)[Li].C(C)(=O)O.CCCCCC.CCCC(C)C.CCC(C)CC.COB(OC)OC.[O-]S(=O)(=S)[O-].[Na+].[Na+]>COC1=CC=C(C=C1)CN(C1=NC(=C(C(=N1)OC)O)OC)CC1=CC=C(C=C1)OC
3
Cl[C:2]1[C:7]([Cl:8])=[CH:6][C:5]([C:9]([F:12])([F:11])[F:10])=[CH:4][N:3]=1.[CH:13]1[CH:18]=[C:17]([OH:19])[CH:16]=[C:15]([OH:20])[CH:14]=1.[N+:21]([O-])([OH:23])=[O:22].S(=O)(=O)(O)O>>[OH:19][C:17]1[CH:16]=[C:15]([CH:14]=[CH:13][C:18]=1[N+:21]([O-:23])=[O:22])[O:20][C:2]1[C:7]([Cl:8])=[CH:6][C:5]([C:9]([F:12])([F:11]...
1
BrCC1=C(C(=O)OC)C=C(C=C1C(F)(F)F)C=O>CO[H].[Na+].[BH4-].C(O)([O-])=O.[Na+]>BrCC1=C(C(=O)OC)C=C(C=C1C(F)(F)F)CO
3
BrC=1C=C(N(CC2=CC=C(C=C2)OC)CC2=CC=C(C=C2)OC)C=CC1C(C)(C)C>O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.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].C(C)(=O)[O-].[K+]>C(C)(C)(C)C1=C(C=C(N(CC2=CC=C(C=C2)OC)CC2=CC=C(C=C2)OC)C=C1)B1OC(C(O1)(C)C)(C)C
3
N([C@@H](CO)C(=O)O)C(=O)OCC1=CC=CC=C1.Cl.C(C1=CC=CC=C1)OC1=C(C=CC(=C1OCC1=CC=CC=C1)OCC1=CC=CC=C1)CCN>ClCCl.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>C(C1=CC=CC=C1)OC(N[C@H](C(NCCC1=C(C(=C(C=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)=O)CO)=O
3
O1CCOC12CCC(CC2)C=2SC=CN2>C1CCCO1>S1C(=NC=C1)C1CCC(CC1)=O
3
[F:1][C:2]1[CH:10]=[CH:9][C:8]([C:11]2[CH:16]=[CH:15][CH:14]=[C:13]([F:17])[CH:12]=2)=[CH:7][C:3]=1[C:4]([OH:6])=O.[CH3:18][O:19][C:20]1[CH:21]=[C:22]([CH:24]=[CH:25][CH:26]=1)[NH2:23].C([O-])([O-])=O.[K+].[K+]>O=S(Cl)Cl.C1COCC1>[F:1][C:2]1[CH:10]=[CH:9][C:8]([C:11]2[CH:16]=[CH:15][CH:14]=[C:13]([F:17])[CH:12]=2)=[CH:7...
1
CN.C(C)(C)(C)N1C=C(C2=C1N=C(N=C2)NC(C2=CC=C(C=C2)C)=O)I>N(C)(C)C=O.C1CCCO1.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]>CNC(=O)C1=CN(C=2N=C(N=CC21)NC(C2=CC=C(C=C2)C)=O)C(C)(C)C
3
[Br:1][C:2]1[C:10]2[N:9]=[C:8]([C:11]([F:14])([F:13])[F:12])[N:7]([CH2:15][C:16]3[CH:21]=[CH:20][CH:19]=[C:18]([Cl:22])[C:17]=3[CH3:23])[C:6]=2[CH:5]=[C:4]([NH2:24])[CH:3]=1.[OH-].[Na+].Br[CH2:28][CH2:29][O:30][CH2:31][CH2:32]Br>[I-].C([N+](CCCC)(CCCC)CCCC)CCC>[Br:1][C:2]1[C:10]2[N:9]=[C:8]([C:11]([F:14])([F:13])[F:12]...
1
[CH3:1][N:2]1[CH:6]=[CH:5][C:4](B2OC(C)(C)C(C)(C)O2)=[N:3]1.Br[C:17]1[CH:26]=[C:25]2[C:20]([CH2:21][CH:22]([CH3:41])[N:23]([C:27]3[CH:32]=[C:31]([N:33]4[CH2:38][CH2:37][N:36]([CH3:39])[CH2:35][CH2:34]4)[N:30]=[C:29]([NH2:40])[N:28]=3)[CH2:24]2)=[CH:19][CH:18]=1.C(=O)([O-])[O-].[Na+].[Na+].N#N>O1CCOCC1.O.Cl[Pd](Cl)(P(C(...
1
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[O:12][N:11]=[C:10]([CH3:13])[C:9]=2[CH2:14][NH2:15])=[CH:4][CH:3]=1.Cl[C:17]([O:19][CH2:20][C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1)=[O:18]>>[CH2:20]([O:19][C:17](=[O:18])[NH:15][CH2:14][C:9]1[C:10]([CH3:13])=[N:11][O:12][C:8]=1[C:5]1[CH:4]=[CH:3][C:2]([Br:1])=[CH:7][CH:6]=1)...
1
[F:1][C:2]([C:5]1[O:9][C:8]([CH2:10][N:11]2[CH:15]=[C:14]([NH2:16])[CH:13]=[N:12]2)=[CH:7][CH:6]=1)([F:4])[CH3:3].[C:17]1([CH3:31])[CH:22]=[CH:21][CH:20]=[C:19]([C:23]2[O:27][CH:26]=[N:25][C:24]=2[C:28](O)=[O:29])[CH:18]=1>>[F:4][C:2]([C:5]1[O:9][C:8]([CH2:10][N:11]2[CH:15]=[C:14]([NH:16][C:28]([C:24]3[N:25]=[CH:26][O:...
1
Br[CH2:2][CH:3]=[CH:4][C:5]([CH3:14])([CH3:13])[CH:6]([CH3:12])[C:7]([O:9][CH2:10][CH3:11])=[O:8].CC(C)([O-])C.[K+]>O1CCCC1>[CH3:12][C:6]1([C:7]([O:9][CH2:10][CH3:11])=[O:8])[C:5]([CH3:14])([CH3:13])[CH:4]1[CH:3]=[CH2:2]
1
P(Cl)(Cl)(Cl)=O.[CH3:6][C:7]1[CH:27]=[C:26]([C:28]2[C:32]([CH3:33])=[C:31]([C:34]([NH2:36])=O)[N:30]([CH3:37])[N:29]=2)[CH:25]=[CH:24][C:8]=1[O:9][CH2:10][C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][C:12]=1[N:17]1[C:21](=[O:22])[N:20]([CH3:23])[N:19]=[N:18]1.N1C=CC=CC=1>O>[CH3:6][C:7]1[CH:27]=[C:26]([C:28]2[C:32]([CH3:33])=[C...
2
C(C)(C)(C)OC(=O)N1CCC(CC1)C=O.FC(C1=NN(C=C1[N+](=O)[O-])C1CCNCC1)F>N(C)(C)C=O.O.C1CCCO1.[HH].C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].C(C)(=O)[O-].[K+]>FC(C1=NN(C=C1[N+](=O)[O-])C1CCN(CC1)CC1CCN(CC1)C(=O)OC(C)(C)C)F
3
I[C:2]1[C:7]([O:8][C:9]2[C:18]3[C:13](=[CH:14][C:15]([O:21][CH3:22])=[C:16]([O:19][CH3:20])[CH:17]=3)[N:12]=[CH:11][CH:10]=2)=[CH:6][CH:5]=[C:4]([CH3:23])[N:3]=1.[S:24]1[CH:28]=[CH:27][C:26](B(O)O)=[CH:25]1.C(=O)([O-])O.[Na+]>C1(C)C=CC=CC=1>[CH3:20][O:19][C:16]1[CH:17]=[C:18]2[C:13](=[CH:14][C:15]=1[O:21][CH3:22])[N:12...
1
ClC1=C(C=C(C=C1)C(CC(=O)OCC)(C)C)[N+](=O)[O-]>C(C)(C)N(C(C)C)CC.CN1C(CCC1)=O.C(C(C)C)NCC(C)C>C(C(C)C)N(C1=C(C=C(C=C1)C(CC(=O)OCC)(C)C)[N+](=O)[O-])CC(C)C
3
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([OH:8])=[CH:4][C:3]=1[F:9].[Cl:10][C:11]1[C:12](F)=[CH:13][C:14]2[O:19][CH:18]([C:20]([F:23])([F:22])[F:21])[C:17]([C:24]([O:26]CC)=[O:25])=[CH:16][C:15]=2[CH:29]=1>>[Cl:10][C:11]1[C:12]([O:8][C:5]2[CH:6]=[CH:7][C:2]([Cl:1])=[C:3]([F:9])[CH:4]=2)=[CH:13][C:14]2[O:19][CH:18]([C:20]([F:22])...
1
[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][C:11]([F:14])([F:13])[F:12].[C:15]1([P:21]([C:28]2[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=2)[C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1>C(#N)C>[Br-:1].[F:12][C:11]([F:14])([F:13])[CH2:10][CH2:9][CH2:8][CH2:7]...
1
[Si](C)(C)(C(C)(C)C)OCCN1C(N(C2=C1C=CC=C2)C2C(NC(CC2)=O)=O)=O>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>OCCN1C(N(C2=C1C=CC=C2)C2C(NC(CC2)=O)=O)=O
3
COC=1C(C(=NN(C1)C=1C=CC=C2C=CC=NC12)C(=O)OC)=O>C1CCCO1.CO[H].Cl.[OH-].[Na+]>COC=1C(C(=NN(C1)C=1C=CC=C2C=CC=NC12)C(=O)O)=O
3
ClC=1C=C(N)C=CC1OC1=CC=NC2=CC(=C(C=C12)OC)OC.CC1=C(C=CC=C1)C(=O)N=C=S>>ClC=1C=C(C=CC1OC1=CC=NC2=CC(=C(C=C12)OC)OC)NC(=S)NC(C1=C(C=CC=C1)C)=O
5
FC1=C(C=C(C=C1)B(O)O)C(N)=O.BrC=1C(=NC(=CC1)C#CC1(CCCC1)O)[C@H](CC1=CC(=CC(=C1)F)F)NC(CN1N=C(C2=C1C([C@H]1[C@@H]2C1)(F)F)C(F)(F)F)=O>>FC1([C@H]2[C@@H](C3=C1N(N=C3C(F)(F)F)CC(=O)N[C@@H](CC3=CC(=CC(=C3)F)F)C3=NC(=CC=C3C=3C=CC(=C(C(=O)N)C3)F)C#CC3(CCCC3)O)C2)F
5
BrC=1C(=C(C=C2CCCOC12)[N+](=O)[O-])C>O.[Fe].CCO[H].[Cl-].[NH4+]>BrC=1C(=C(C=C2CCCOC12)N)C
3
[CH3:1][N:2]([CH3:12])[C:3]1[CH:8]=[CH:7][C:6]([N+:9]([O-])=O)=[CH:5][N:4]=1>CO.[Pd]>[CH3:1][N:2]([CH3:12])[C:3]1[CH:8]=[CH:7][C:6]([NH2:9])=[CH:5][N:4]=1
1
ClC1=C(C=C(C(=C1C)F)OC)OC>>BrCC=1C(=C(C=C(C1F)OC)OC)Cl
5
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.BrC=1C(=NC=C(N1)Br)N>>BrC=1C(=NC=C(N1)Br)NC(=O)OC(C)(C)C
5
Br[C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:9]=[CH:10][C:11]3[N:12]([C:21]4[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=4)[C:13]4[C:18]([C:19]=3[CH:20]=2)=[CH:17][CH:16]=[CH:15][CH:14]=4)=[CH:4][CH:3]=1.CCCCCC.C([Li])CCC.[B:38]([O:43]C)(OC)[O:39]C.Cl>O1CCCC1>[C:21]1([N:12]2[C:11]3[CH:10]=[CH:9][C:8]([C:5]4[CH:4]=[CH:3][C:2]([B:38]([...
1
[Cl:1][C:2]1[CH:3]=[C:4]([C:12]([C@H:14]2[CH2:16][C@@H:15]2[C:17]([OH:19])=[O:18])=[O:13])[CH:5]=[CH:6][C:7]=1[O:8][CH:9]([CH3:11])[CH3:10].[OH-].[Na+:21]>C(OCC)C>[Cl:1][C:2]1[CH:3]=[C:4]([C:12]([C@H:14]2[CH2:16][C@@H:15]2[C:17]([O-:19])=[O:18])=[O:13])[CH:5]=[CH:6][C:7]=1[O:8][CH:9]([CH3:10])[CH3:11].[Na+:21]
2
[CH3:1][O:2][C:3](=[O:30])[CH2:4][CH2:5][C:6]1[N:7]=[CH:8][N:9](C(C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[CH:10]=1.[Br:31][C:32]1[CH:39]=[CH:38][CH:37]=[CH:36][C:33]=1[CH2:34]Br>CC#N.CCOC(C)=O>[CH3:1][O:2][C:3](=[O:30])[CH2:4][CH2:5][C:6]1[N:7]([CH2:34][C:33]2[CH:36]=[CH:37][CH:38]=[CH:39][C:32]=2[Br:31])[CH:8]=[N:9][CH:...
1
[CH2:1]([C:4]1[C:5]([CH3:16])=[N:6][O:7][C:8]=1[C:9]1[CH:14]=[CH:13][C:12](Br)=[CH:11][CH:10]=1)[CH:2]=[CH2:3].[CH2:17]([O:19][C:20]([C:22]1([C:25]2[CH:30]=[CH:29][C:28](B3OC(C)(C)C(C)(C)O3)=[CH:27][CH:26]=2)[CH2:24][CH2:23]1)=[O:21])[CH3:18]>>[CH2:17]([O:19][C:20]([C:22]1([C:25]2[CH:30]=[CH:29][C:28]([C:12]3[CH:13]=[C...
1
NC1CCN(CC1)C(=O)OC(C)(C)C.COC([C@@H](CC=1C(=C2C=NNC2=CC1)CCl)NC(=O)OCC1=CC=CC=C1)=O>>C(C)(C)(C)OC(=O)N1CCC(CC1)N1C([C@@H](CC2=C(C=3C=NNC3C=C2)C1)NC(=O)OCC1=CC=CC=C1)=O
3
FC(C(=O)C1=C(C=CC=C1)F)(F)F>>FC(C(=O)C1=C(C=CC=C1)F)F
5
CC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C>C(Cl)(Cl)(Cl)Cl.ClCl.[Fe](Cl)(Cl)Cl.CC1=C(C=CC=C1)C>CC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)CCl
3
[CH:1]([C:3]1[N:8]=[CH:7][N:6]=[C:5]([NH2:9])[CH:4]=1)=[CH2:2]>CO.[OH-].[OH-].[Pd+2]>[CH2:1]([C:3]1[N:8]=[CH:7][N:6]=[C:5]([NH2:9])[CH:4]=1)[CH3:2]
2
COC1=CC=C(C=C1)C=1N(C(=CC(C1C)=O)C1=CC=CC=C1)C1=CC=CC=C1>O.ClCCl.B(Br)(Br)Br.C(O)([O-])=O.[Na+]>OC1=CC=C(C=C1)C=1N(C(=CC(C1C)=O)C1=CC=CC=C1)C1=CC=CC=C1
3
BrC1=C(C=CC(=N1)NC(C1=NC=CC(=C1)C(F)(F)F)=O)C>C1(=CC=CC=C1)C.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C[Sn]([Sn](C)(C)C)(C)C>CC=1C=CC(=NC1[Sn](C)(C)C)NC(C1=NC=CC(=C1)C(F)(F)F)=O
3
C(C)(C)(C)OC(=O)N1CCC(CC1)C1=CNC2=C1C=NC=C2>>N1CCC(CC1)C1=CNC2=C1C=NC=C2
5
ClC=1C=C2C=3C=CN=CC3NC2=C(C1N1CCN(CC1)C)[N+](=O)[O-]>>ClC=1C=C2C=3C=CN=CC3NC2=C(C1N1CCN(CC1)C)N
5
[F:1][C:2]([F:26])([F:25])[C:3]1[N:7]2[N:8]=[C:9]([N:12]3[CH2:17][CH2:16][CH:15]([C:18]4[CH:23]=[CH:22][C:21]([OH:24])=[CH:20][CH:19]=4)[CH2:14][CH2:13]3)[CH:10]=[CH:11][C:6]2=[N:5][N:4]=1.Br[CH2:28][CH2:29][CH2:30][C:31]([F:34])([F:33])[F:32].C(=O)([O-])[O-].[K+].[K+]>CC(N(C)C)=O>[F:32][C:31]([F:34])([F:33])[CH2:30][C...
1
BrC1=C(C=C(C(=O)OC)C=C1)CCC(=O)OCC>O.C1CCCO1.[OH-].[Li+]>BrC1=C(C=C(C(=O)O)C=C1)CCC(=O)O
3
BrC1=C(C(=C(C(=O)N2[C@H](CN(CC2)C(=O)OC(C)(C)C)CO)C=C1)F)Cl>C[Si](C)(C)[N-][Si](C)(C)C.[Li+].CN1C(CCC1)=O>BrC1=C(C2=C(C(N3[C@@H](CO2)CN(CC3)C(=O)OC(C)(C)C)=O)C=C1)Cl
3
[CH:1]1([C:4]2[C:13]3[C:12](=[O:14])[CH2:11][CH2:10][C:9]([CH3:16])([CH3:15])[C:8]=3[CH:7]=[C:6](OS(C(F)(F)F)(=O)=O)[CH:5]=2)[CH2:3][CH2:2]1.C(N(CC)CC)C.O1CCCC1.[CH3:37][Si:38]([C:41]#[CH:42])([CH3:40])[CH3:39]>CCCCCC.[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.C(O...
1
C(=O)(OC(C)(C)C)N1CCNCC1.BrC1=C2CCC(OC2=CC=C1)C1=C(C=C(C=C1)Cl)F>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+].C=1C=CC(=CC1)P(C=2C=CC=CC2)C3=CC=C4C=CC=CC4=C3C5=C6C=CC=CC6=CC=C5P(C=7C=CC=CC7)C=8C=CC=CC8>ClC1=CC(=C(C...
3
CS(=O)(=O)Cl.OC1=CC=C(OCCC2=CC=C(OCC3=C(C(=O)OC)C=CC=C3)C=C2)C=C1>>CS(=O)(=O)OC1=CC=C(OCCC2=CC=C(OCC3=C(C(=O)OC)C=CC=C3)C=C2)C=C1
5
C(C1=CC=CC=C1)OC[C@H](N)C(=O)O.C(C)OC(=O)[C@@H](C[C@H](C(=O)Cl)CC1=CC=CC=C1)CC1=CC=CC=C1>O.C([O-])([O-])=O.[Na+].[Na+]>C(C)OC(=O)[C@@H](C[C@H](C(=O)N[C@@H](COCC1=CC=CC=C1)C(=O)O)CC1=CC=CC=C1)CC1=CC=CC=C1
3
OC=1C=C(C(=O)OC)C=CC1.FC1=C(OC=2C=CC3=C(N(C(=N3)CO)C)C2)C=CC=C1>>FC1=C(OC=2C=CC3=C(N(C(=N3)COC=3C=C(C(=O)OC)C=CC3)C)C2)C=CC=C1
5
N1C(CC2=CC=CC=C12)=O.N1(CCOCC1)CCOC=1C=C2C=C(NC2=CC1)C=O>>N1(CCOCC1)CCOC=1C=C2C=C(NC2=CC1)C=C1C(NC2=CC=CC=C12)=O
5
C(C)OC(C(C)P(=O)(OCC)OCC)=O.C(=O)C1=CC=C(CCC2=CC=CC=3N2C=NC3)C=C1>C1CCCO1.C(C)(C)[N-]C(C)C.[Li+]>C(C)OC(=O)C(=CC1=CC=C(CCC2=CC=CC=3N2C=NC3)C=C1)C
3
F[B-](F)(F)F.C[O+](C)C.CC1=NNC2=CC(=CC=C12)[N+](=O)[O-]>>CN1N=C2C=C(C=CC2=C1C)[N+](=O)[O-]
5
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.COC=1C=C2C(=CC=NC2=CC1OC)OC1=CC(=C(N)C=C1)C(F)(F)F.S1C(=NC=C1)C(C)N>>COC=1C=C2C(=CC=NC2=CC1OC)OC1=CC(=C(C=C1)NC(=O)NC(C)C=1SC=CN1)C(F)(F)F
5
C1(=CC=CC=C1)N1CCNCC1.O=C(CCCl)C=1C=C2CCC(NC2=CC1)=O>C(C)(C)O.[I-].[Na+].C(O)([O-])=O.[Na+].C1CCC2=NCCCN2CC1>O=C(CCN1CCN(CC1)C1=CC=CC=C1)C=1C=C2CCC(NC2=CC1)=O
3
C1(=CC=CC=C1)C1=NNC(=C1)OCC#N>>BrC=1C(=NNC1OCC#N)C1=CC=CC=C1
5
C(=C)[B-](F)(F)F.[K+].ClC1=CC=2N(N=C1)C=C(N2)[C@@H](NC(=O)C=2C=NN(C2)CCC(F)(F)F)C2CCC(CC2)(F)F>P(=O)([O-])([O-])[O-].[K+].[K+].[K+].[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]>FC1(CCC(CC1)C(NC(=O)C=1C=NN(C1)CCC(F)(F)F)C=1N=C2N(N=CC(=C2)C=C)C1)F
3
FC=1C=C(N)C=C(C1F)F>CCO[H].II.S(=O)(=O)([O-])[O-].[Ag+2]>FC=1C(=C(N)C=C(C1F)F)I
3
ClC1=CC=C2C(=N1)N(C(C2(C)C)=O)C>N(C)(C)C=O.C[O-].[Na+]>COC1=CC=C2C(=N1)N(C(C2(C)C)=O)C
3
C(C)OC([C@H](C)N(C1=NC=C(C(=O)OC)C=C1[N+](=O)[O-])C(C)C)=O>ClCCl.[HH].[Pt].P(OC1=CC=CC=C1)(OC1=CC=CC=C1)OC1=CC=CC=C1.[NH4+].[O-][V](=O)=O>C(C)(C)N1C2=C(NC([C@@H]1C)=O)C=C(C=N2)C(=O)OC
3
C(C)(C)(C)OC(=O)N(C(OC(C)(C)C)=O)C1=NC=C(C=C1C1CC1)NC(C(=O)N1C(CC[C@@H](C1)C)C=1C=CC2=C(N=C(S2)C2CCOCC2)C1)=O>CO[H].N>NC1=C(C=C(C=N1)NC(C(=O)N1C(CC[C@@H](C1)C)C=1C=CC2=C(N=C(S2)C2CCOCC2)C1)=O)C1CC1
3
C([O-])(=O)C.[O:5]=[C:6]1[C@H:9]([NH3+:10])[CH2:8][NH:7]1.CCN(CC)CC.[CH2:18]([O:25][C:26]1[CH:34]=[CH:33][C:29]([C:30](Cl)=[O:31])=[CH:28][CH:27]=1)[C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1>C(Cl)Cl>[CH2:18]([O:25][C:26]1[CH:27]=[CH:28][C:29]([C:30]([NH:10][C@@H:9]2[CH2:8][NH:7][C:6]2=[O:5])=[O:31])=[CH:33][CH:34]=...
2
ClC1=C(C(=CC=C1)Cl)Cl>CO[H].C[O-].[Na+].CN(C(C)=O)C>ClC=1C(=C(C=CC1)OC)Cl
3
[F:1][C:2]1[CH:7]=[CH:6][C:5]([C@@H:8]([OH:37])[CH2:9][CH2:10][C@@H:11]2[C@@H:14]([C:15]3[CH:20]=[CH:19][C:18](B4OC(C)(C)C(C)(C)O4)=[CH:17][CH:16]=3)[N:13]([C:30]3[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=3)[C:12]2=[O:36])=[CH:4][CH:3]=1.[C:38]([O:41][C@@H:42]1[C@@H:47]([O:48][C:49](=[O:51])[CH3:50])[C@H:46]([O:52][C:53](=...
1
[F:1][C:2]1([CH2:13]N)[C:7]([F:8])=[CH:6][C:5]([F:9])=[C:4]([F:10])[CH:3]1[CH2:11]N.C(O)(=[O:17])C.N([O-])=O.[Na+].[OH2:23]>>[F:1][C:2]1([CH2:13][OH:17])[C:7]([F:8])=[CH:6][C:5]([F:9])=[C:4]([F:10])[CH:3]1[CH2:11][OH:23]
1
C1(=CC=CC=C1)C(C(=O)OCC)C(=O)OCC>CCO[H].[HH].[C].[Rh]>C1(CCCCC1)C(C(=O)OCC)C(=O)OCC
3
S(=O)(=O)(OC)OC.OC=1C=CC=C2C=CC(=CC12)C(=O)OCC>C([O-])([O-])=O.[K+].[K+].CC(=O)C>COC=1C=CC=C2C=CC(=CC12)C(=O)OCC
3
[CH2:1]([O:8][C:9]1[CH:10]=[C:11]2[C:15](=[CH:16][CH:17]=1)[NH:14][CH:13]=[C:12]2[C:18](=[O:20])[CH3:19])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C([O-])([O-])=O.[K+].[K+].Br[CH2:28][C:29]([O:31][C:32]([CH3:35])([CH3:34])[CH3:33])=[O:30]>C(#N)C.C(Cl)Cl>[C:18]([C:12]1[C:11]2[C:15](=[CH:16][CH:17]=[C:9]([O:8][CH2:1][C:2]...
2
[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[C:9]([C:17]3[CH:22]=[CH:21][C:20]([S:23][CH3:24])=[CH:19][CH:18]=3)=[N:10][NH:11][C:12]=2[C:13]([F:16])([F:15])[F:14])=[CH:4][CH:3]=1.C(=O)([O-])[O-].[K+].[K+].[CH2:31](Br)[C:32]#[CH:33]>CN(C=O)C>[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[C:9]([C:17]3[CH:22]=[CH:21][C:20]([S:23][CH3:24])=...
1
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:17]=[CH:18][C:19]=1[O:20][CH3:21])[C:6]([C:8]1[CH:13]=[CH:12][CH:11]=[C:10]([N+:14]([O-])=O)[CH:9]=1)=[O:7].[H][H]>C(OCC)(=O)C.[Pd]>[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:17]=[CH:18][C:19]=1[O:20][CH3:21])[C:6]([C:8]1[CH:13]=[CH:12][CH:11]=[C:10]([NH2:14])[CH:9]=1)=[O:7]
1
[NH2:1][C:2]1[C:3](=[O:8])[NH:4][CH:5]=[CH:6][CH:7]=1.C(O[CH:12]=[C:13]([C:19]([O:21][CH2:22][CH3:23])=[O:20])[C:14]([O:16][CH2:17][CH3:18])=[O:15])C.CCOCC>C(O)(C)C>[O:8]=[C:3]1[C:2]([NH:1][CH:12]=[C:13]([C:14]([O:16][CH2:17][CH3:18])=[O:15])[C:19]([O:21][CH2:22][CH3:23])=[O:20])=[CH:7][CH:6]=[CH:5][NH:4]1
1
BrC=1C(=NC=C(N1)C=1C=NN(C1)C)N.COC=1C=C(C=C(C1)OC(F)(F)F)N1N=C(C=CC1=O)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>FC(C(=O)O)(F)F.NC=1C(=NC(=CN1)C=1C=NN(C1)C)C=1C=CC(N(N1)C...
3