Datasets:
Derify
/
ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
[CH3:1][N:2]1[C@H:16]2[C@@H:6]([C:7]3[CH:8]=[CH:9][CH:10]=[C:11]4[C:17]=3[C:14]([CH2:15]2)=[CH:13][NH:12]4)[CH2:5][CH:4]([CH2:18][O:19][C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)[CH2:3]1.[C:26]([OH:33])(=[O:32])/[CH:27]=[CH:28]\[C:29]([OH:31])=[O:30]>C(OCC)C>[C:26]([OH:33])(=[O:32])/[CH:27]=[CH:28]\[C:29]([OH:31])=...
1
[OH:1][C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[O:5][C:4](=[O:12])[CH:3]=1.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.O[CH2:33][CH2:34][CH2:35][N:36]1[C:44](=[O:45])[C:43]2[C:38](=[CH:39][CH:40]=[CH:41][CH:42]=2)[C:37]1=[O:46].CC(OC(/N=N/C(OC(C)C)=O)=O)C>C1COCC1>[O:12]=[C:4]1[CH:3]=[C:2]([O:1][CH2:33][CH2:34][CH2:3...
1
[N+](=O)([O-])C=1C=NC(=CC1)S(=O)(=O)C>>NC=1C=NC(=CC1)S(=O)(=O)C
5
ClCC1=NC(=CC=C1)C(F)(F)F.N1C(C2(C3=CC=CC=C13)COC1=CC3=C(OCCO3)C=C12)=O>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>FC(C1=CC=CC(=N1)CN1C(C2(C3=CC=CC=C13)COC1=CC3=C(OCCO3)C=C12)=O)(F)F
3
N1=C(C=CC=C1)B1OC(C)(C)C(C)(C)O1.BrC=1C=NN2C1N=C(C=C2)N2CCN(CC2)C(=O)N2CCCC2>>Cl.Cl.N1=C(C=CC=C1)C1=CN=C2N1N=C(C=C2)N2CCN(CC2)C(=O)N2CCCC2
5
CN.NC1=NC=C2N=CN(C2=N1)COC(COC(C1=CC=CC=C1)=O)COC(C1=CC=CC=C1)=O>>NC1=NC=C2N=CN(C2=N1)COC(CO)CO
3
ClC1=NC=C(C2=CC(=CC=C12)F)OC>C1CCCO1.CNC>ClC1=NC=C(C2=CC(=CC=C12)N(C)C)OC
3
[CH3:1][C:2]1[CH2:6][C:5](=[O:7])[N:4]([C:8]2[CH:13]=[CH:12][C:11]([N+:14]([O-])=O)=[CH:10][CH:9]=2)[N:3]=1.[ClH:17]>[Pd].CO>[ClH:17].[ClH:17].[NH2:14][C:11]1[CH:10]=[CH:9][C:8]([N:4]2[C:5](=[O:7])[CH2:6][C:2]([CH3:1])=[N:3]2)=[CH:13][CH:12]=1
1
C(C)OC(=O)C1=CC=C2C(=CC(=NC2=C1)C)Cl>>ClC1=CC(=NC2=CC(=CC=C12)CO)C
5
ClC=1C=CC2=C([C@@](C(CCN2)(F)F)(O)CO)C1.C1(=CC=CC=C1)C1=NC=CC=C1C(=O)NC1=CC=C(C=N1)C(=O)O>ClS(Cl)=O.CN(C(C)=O)C>ClC=1C=CC2=C([C@](C(CCN2C(=O)C=2C=CC(=NC2)NC(=O)C=2C(=NC=CC2)C2=CC=CC=C2)(F)F)(CO)O)C1
3
Cl.[F:2][C:3]1[CH:11]=[C:10]2[C:6]([C:7]([C:21]3[CH:22]=[CH:23][C:24]([NH2:27])=[N:25][CH:26]=3)=[CH:8][N:9]2[S:12]([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)(=[O:14])=[O:13])=[CH:5][CH:4]=1.[H-].[Na+].[Cl:30][C:31]([Cl:38])([Cl:37])[C:32]([N:34]=[C:35]=[O:36])=[O:33]>C1COCC1>[Cl:30][C:31]([Cl:38])([Cl:37])[C:32](...
2
FCCCOC=1C=C2C(C3(CC2=CC1)CCC(CC3)OC)=NS(=O)C(C)(C)C>>FCCCOC1=CC=C2CC3(C(C2=C1)=N)CCC(CC3)OC
5
Cl.NCCN1C(=NC2=C1C=CC(=C2)C=2OC1=C(N2)C=CC=C1)C>C(=O)(C(F)(F)F)OC(=O)C(F)(F)F.CCN(CC)CC>O1C(=NC2=C1C=CC=C2)C2=CC1=C(N(C(=N1)C)CCNC(C(F)(F)F)=O)C=C2
3
ClC1=C(C=CC(=C1)Cl)C1=CC=C(C=C1)N.BrC1=C(C=O)C(=CC(=C1)C(F)(F)F)Cl>C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl>BrC1=C(CNC2=CC=C(C=C2)C2=C(C=C(C=C2)Cl)Cl)C(=CC(=C1)C(F)(F)F)Cl
3
[C:1]([C:3]1[CH:13]=[CH:12][C:11]([O:14][CH3:15])=[CH:10][C:4]=1[C:5](OCC)=[O:6])#[N:2].[Li+].[BH4-]>C1COCC1>[C:1]([C:3]1[CH:13]=[CH:12][C:11]([O:14][CH3:15])=[CH:10][C:4]=1[CH2:5][OH:6])#[N:2]
1
[F:1][C:2]1[CH:7]=[C:6]([CH:8]=[O:9])[CH:5]=[CH:4][C:3]=1[C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1.[BH4-].[Na+].[OH-].[Na+]>C(O)C>[F:1][C:2]1[CH:7]=[C:6]([CH2:8][OH:9])[CH:5]=[CH:4][C:3]=1[C:10]1[CH:11]=[CH:12][CH:13]=[CH:14][CH:15]=1
1
[Cl:1][C:2]1[CH:10]=[CH:9][C:8]2[NH:7][C:6]3[CH2:11][CH2:12][N:13]([CH3:15])[CH2:14][C:5]=3[C:4]=2[CH:3]=1.N1CCC[C@H]1C(O)=O.P([O-])([O-])([O-])=O.[K+].[K+].[K+].Br[CH:33]=[C:34]([C:36]1[CH:41]=[CH:40][CH:39]=[CH:38][C:37]=1[Cl:42])[CH3:35]>CN(C=O)C.[Cu]I>[Cl:1][C:2]1[CH:10]=[CH:9][C:8]2[N:7](/[CH:33]=[C:34](/[C:36]3[C...
1
NCC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)OCC>>NCC1(CCNCC1)C(=O)OCC
5
[Cl:1][C:2]1[CH:38]=[CH:37][C:36]([CH2:39][CH2:40][O:41][CH3:42])=[CH:35][C:3]=1[CH2:4][N:5]([CH:32]1[CH2:34][CH2:33]1)[C:6](=[O:31])[CH:7]([CH2:11][C:12]1[CH:17]=[CH:16][C:15]([O:18][CH2:19][CH2:20][O:21][C:22]2[C:27]([Cl:28])=[CH:26][C:25]([CH3:29])=[CH:24][C:23]=2[Cl:30])=[CH:14][CH:13]=1)[CH:8]([OH:10])[CH3:9].CC(O...
1
ClC1=NC(=CC=C1[C@H]1[C@@H](C1)C(=O)OCC)C1=CC(=CC=C1)C(F)(F)F>CO[H].[OH-].[Na+]>ClC1=NC(=CC=C1[C@H]1[C@@H](C1)C(=O)O)C1=CC(=CC=C1)C(F)(F)F
3
B(Br)(Br)Br.[CH2:5]([C:7]1([C:46]2[CH:51]=[CH:50][C:49]([O:52]C)=[CH:48][CH:47]=2)[CH:16]([CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH:25]([CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][C:37]([F:43])([F:42])[C:38]([F:41])([F:40])[F:39])[C:26]([O:28][CH2:29][CH3:30])=[O:27])[C:15]2[C:10](=[CH:11...
1
C(CC=C)SC1=C(C=CC=2N=C(OC21)C(C)(C)C)Cl>ClCCl.ClC=1C=C(C(=O)OO)C=CC1.C(O)([O-])=O.[Na+].[O-]S(=O)(=S)[O-].[Na+].[Na+]>C(C)(C)(C)C=1OC2=C(N1)C=CC(=C2S(=O)(=O)CCC2OC2)Cl
3
C1(CCCCC1)C[C@@H](C(=O)NC(CC1C(NC(C1)(C)C)=O)C(C(=O)NC1CC1)O)NC(OC1C(CCC1)CC1=CC(=CC=C1)Cl)=O>C(C)(=O)OCC.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O>C1(CCCCC1)C[C@@H](C(=O)NC(CC1C(NC(C1)(C)C)=O)C(C(=O)NC1CC1)=O)NC(OC1C(CCC1)CC1=CC(=CC=C1)Cl)=O
3
ClC1=NN=C(C2=CC=CC=C12)Cl.[Si](C)(C)(C(C)(C)C)OCC1=CC=CC(=N1)CO>>[Si](C)(C)(C(C)(C)C)OCC1=CC=CC(=N1)COC1=NN=C(C2=CC=CC=C12)Cl
5
[C-]#N.[Na+].C1(CCC1)N1CCC2=C(CC1)C=C(C(=C2)I)OCC2=CC=CC=C2>[Cu]I.C1CCCO1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C1(CCC1)N1CCC2=C(CC1)C=C(C(=C2)C#N)OCC2=CC=CC=C2
3
[CH2:1]([O:3][C:4](=[O:13])[CH2:5][NH:6][C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1)[CH3:2].[Cl:14][C:15]1[CH:16]=[CH:17][C:18]([CH3:24])=[C:19]([N:21]=[C:22]=[S:23])[CH:20]=1>C(Cl)(Cl)Cl>[CH2:1]([O:3][C:4](=[O:13])[CH2:5][N:6]([C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1)[C:22]([NH:21][C:19]1[CH:20]=[C:15]([Cl:14])[CH:...
1
[Br:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]=[CH:7][CH:6]=[C:5]2[Cl:12].[NH2:13][C:14]1[CH:15]=[C:16]([OH:21])[CH:17]=[CH:18][C:19]=1[Cl:20].Cl>C(#N)C.O1CCOCC1>[ClH:12].[Br:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]=[CH:7][CH:6]=[C:5]2[NH:13][C:14]1[CH:15]=[C:16]([OH:21])[CH:17]=[CH:18][C:19]=1[Cl:20]
1
[CH2:1]([N:8]1[N:12]=[N:11][C:10]([C@@H:13]2[C@@H:17]([OH:18])[C@@H:16]([OH:19])[C@H:15]([N:20]3[CH:28]=[N:27][C:26]4[C:21]3=[N:22][C:23]([Cl:44])=[N:24][C:25]=4NCC(C3C=CC=CC=3)C3C=CC=CC=3)[O:14]2)=[N:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[NH2:45][CH2:46][CH:47]([C:55]1[CH:60]=[CH:59][C:58]([OH:61])=[CH:57][CH:5...
1
N1=CC=C2N1CC(NC2=O)=O>P(=O)(Cl)(Cl)Cl.Cl.N1=CC=CC=C1.P(=O)(O)(O)[O-].[Na+]>ClC=1C=2N(C=C(N1)Cl)N=CC2
3
[Cl:1][C:2]1[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[C:4]([NH:10][C:11]([O:13][CH2:14][CH3:15])=[O:12])[CH:3]=1.Br[CH2:17][C:18]([C:20]1[CH:21]=[N:22][CH:23]=[N:24][CH:25]=1)=[O:19]>>[NH2:7][C:6]1[C:5]2[C:4](=[CH:3][C:2]([Cl:1])=[CH:9][CH:8]=2)[N:10]([C:11]([O:13][CH2:14][CH3:15])=[O:12])[C:17]=1[C:18]([C:20]1[CH:21]=[N:22][CH...
1
ClCC(=O)Cl.C(C1=CC=CC=C1)[C@]1([C@H]([C@H](OC(C)=O)O[C@@H]([C@H]1OC(C)=O)COC(C)=O)OC(C)=O)O>ClCCl.c1ccncc1>ClCC(=O)O[C@]1([C@H]([C@H](OC(C)=O)O[C@@H]([C@H]1OC(C)=O)COC(C)=O)OC(C)=O)O
3
C1(C=2C(C(N1[C@H](C(=O)O)C)=O)=CC=CC2)=O>ClS(Cl)=O.ClC1=CC=CC=C1>C1(C=2C(C(N1[C@H](C(=O)Cl)C)=O)=CC=CC2)=O
3
N[C@H]1CCOC2=CC(=CC=C12)S(=O)(=O)N(C1=NC=NS1)CC1=C(C=C(C=C1)OC)OC.CN1N=CC(=C1)C(C[C@@H](CC=O)C(F)(F)F)=O>C1(=CC=CC=C1)C.C(C)(=O)OCC.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].CC([O-])C.[Ti+4].CC([O-])C.CC([O-])C.CC([O-])C>COC1=C(CN(S(=O)(=O)C2=CC=C3C(CCOC3=C2)N2[C@@H](C[C@@H](CC2)C(F)(F)F)C=2C=NN(C2)C)C2=NC=NS2)C=CC(=C1)OC
3
C(O)(=O)C.[F-].C([N+](CCCC)(CCCC)CCCC)CCC.[Si]([O:30][C@@H:31]([C@H:33]1[C:62](=[O:63])[N:35]2[C:36]([C:56]([O:58][CH2:59][CH:60]=[CH2:61])=[O:57])=[C:37]([C:40]3[S:44][C:43]4=[C:45]([C:48]([C:50]5[CH:51]=[N:52][CH:53]=[CH:54][CH:55]=5)=[O:49])[N:46]=[CH:47][N:42]4[CH:41]=3)[C@H:38]([CH3:39])[C@H:34]12)[CH3:32])(C(C)(C...
1
C(C)(=O)O[C@@H]1C=CO[C@@H]([C@H]1OC(C)=O)CO[Si](C)(C)C(C)(C)C>P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>C(C)(=O)O[C@H]1[C@@H](C=CO[C@@H]1CO[Si](C)(C)C(C)(C)C)O
3
C(CC)C1=NN(C=C1CCCO)C1=NC=C(C=C1)C(F)(F)F.FC1=C(C=C(C=C1)O)CC(=O)OC>C1CCCO1.C(CCC)P(CCCC)CCCC.C1CCN(CC1)C(=O)N=NC(=O)N2CCCCC2>FC1=C(C=C(C=C1)OCCCC=1C(=NN(C1)C1=NC=C(C=C1)C(F)(F)F)CCC)CC(=O)O
3
[I:1][C:2]1[CH:6]=[CH:5][NH:4][N:3]=1.[H-].[Na+].C[C:10]1[CH:17]=[C:16](F)[CH:15]=[CH:14][C:11]=1[C:12]#[N:13]>CS(C)=O>[I:1][C:2]1[CH:6]=[CH:5][N:4]([C:16]2[CH:15]=[CH:14][C:11]([C:12]#[N:13])=[CH:10][CH:17]=2)[N:3]=1
2
Br[C:2]1[CH:3]=[C:4]([C:23]([OH:25])=[O:24])[C:5]2[O:9][C:8]([C:16]3[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=3)([C:10]3[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=3)[O:7][C:6]=2[CH:22]=1.[H-].[Li+].[CH3:28][N:29]([CH3:33])[C:30](Cl)=[O:31]>>[CH3:28][N:29]([CH3:33])[C:30]([C:2]1[CH:3]=[C:4]([C:23]([OH:25])=[O:24])[C:5]2[O:9][C:8...
1
Cl[C:2]1[C:11]2=[N:12][N:13](CC3C=CC(OC)=CC=3)[CH:14]=[C:10]2[C:9]2[CH:8]=[C:7]([O:24][CH3:25])[CH:6]=[CH:5][C:4]=2[N:3]=1.[CH3:26][N:27]([CH2:29][C:30]1[CH:36]=[CH:35][C:33]([NH2:34])=[CH:32][CH:31]=1)[CH3:28].Cl>CO.O1CCOCC1>[CH3:28][N:27]([CH2:29][C:30]1[CH:31]=[CH:32][C:33]([NH:34][C:2]2[C:11]3=[N:12][NH:13][CH:14]=...
2
BrC/C=C/C(=O)Cl.NC1=CC=C(C(=O)N[C@@H]2C[C@@H](CCC2)NC2=NC=C(C(=N2)C=2C=NC=CC2)Cl)C=C1>>ClC=1C(=NC(=NC1)N[C@H]1C[C@H](CCC1)NC(C1=CC=C(C=C1)NC(\C=C\CN(C)C)=O)=O)C=1C=NC=CC1
5
O=C1NC(CCC1N1CC2=CC=C(C(=C2C1=O)OC)C=O)=O.C1C(CC12CCC2)C2=NN=C(O2)N>N(C)(C)C=O.C1(=CC=C(C=C1)S(=O)(=O)O)C.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>COC=1C(=CC=C2CN(C(C12)=O)C1C(NC(CC1)=O)=O)CNC=1OC(=NN1)C1CC2(C1)CCC2
3
NC(=S)N.ClC1=NC=C(C=C1[N+](=O)[O-])C>CCO[H]>Cl.CC=1C=C(C(=NC1)SC(N)=N)[N+](=O)[O-]
3
FC(C=1C=CC(=NC1)OC1C(CN(C1)C=1C=2N(N=C(C1)C=1C(=NC(=NC1)OC)OC)C=CN2)(F)F)F>CO[H].[Cl-].[NH4+]>FC(C=1C=CC(=NC1)OC1C(CN(C1)C=1C=2N(N=C(C1)C=1C(NC(NC1)=O)=O)C=CN2)(F)F)F
3
[NH2:1][C:2]1[CH:10]=[C:9]2[C:5]([CH2:6][NH:7][C:8]2=[O:11])=[CH:4][CH:3]=1.Br[CH2:13][CH2:14][CH2:15][CH2:16]Br>>[N:1]1([C:2]2[CH:10]=[C:9]3[C:5]([CH2:6][NH:7][C:8]3=[O:11])=[CH:4][CH:3]=2)[CH2:16][CH2:15][CH2:14][CH2:13]1
1
ClC1=CC=C(C(=O)Cl)C=C1.CN[C@H](CN1CCC(CC1)O)CCC>>ClC1=CC=C(C(=O)N(C)[C@H](CN2CCC(CC2)O)CCC)C=C1
5
S1C=CC2=C1C=CC(=C2)C=O>C1(=CC=CC=C1)C.C1(=CC=C(C=C1)S(=O)(=O)O)C.C(CO)O>S1C=CC2=C1C=CC(=C2)C2OCCO2
3
CN.N1C=C(C2=CC=CC=C12)C(=O)C=1SC=C(N1)C1=NOC(=N1)C(Cl)(Cl)Cl>>N1C=C(C2=CC=CC=C12)C(=O)C=1SC=C(N1)C1=NOC(=N1)NC
3
CC(C1CO1)(C)C.N[C@@H]1CC[C@H](CC1)CNC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)=O>CC(C)O>OC(CN[C@@H]1CC[C@H](CC1)CNC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)=O)C(C)(C)C
3
O.O.O.O.O.O.O.O.O.O.[P:11]([O-:15])([O-:14])([O-:13])=[O:12].[Na+].[Na+].[Na+].C(O)(=O)CC(CC(O)=O)(C(O)=O)O.[Cl-].[Mg+2:33].[Cl-]>O>[P:11]([O-:15])([O-:14])([O-:13])=[O:12].[Mg+2:33].[P:11]([O-:15])([O-:14])([O-:13])=[O:12].[Mg+2:33].[Mg+2:33]
1
C(C)(C)(C)OC(CN1N=C(C=2CC(CCC12)O)C(=O)OCC)=O>>C(C)(C)(C)OC(CN1N=C(C=2CC(CCC12)F)C(=O)OCC)=O
5
[H-].[Na+].[Cl:3][C:4]1[C:5]([OH:14])=[C:6]([O:12][CH3:13])[CH:7]=[C:8]([CH:11]=1)[CH:9]=[O:10].Br[CH2:16][CH2:17][OH:18]>CN(C=O)C.C(OCC)(=O)C>[Cl:3][C:4]1[CH:11]=[C:8]([CH:7]=[C:6]([O:12][CH3:13])[C:5]=1[O:14][CH2:16][CH2:17][OH:18])[CH:9]=[O:10]
1
CC(CC=NO)(C)C>N(C)(C)C=O.ClN1C(CCC1=O)=O>ON=C(CC(C)(C)C)Cl
3
C(C1=CC=CC=C1)N1CCC(CC1)CNC(=O)OC(C)(C)C>>C(C)(C)(C)OC(NCC1CCNCC1)=O
5
[NH2:1][C:2]1[CH:11]=[CH:10][C:5]([C:6]([O:8][CH3:9])=[O:7])=[CH:4][CH:3]=1.[F:12][C:13]1[CH:20]=[CH:19][C:16]([CH:17]=O)=[CH:15][C:14]=1[N+:21]([O-:23])=[O:22]>C(O)C>[F:12][C:13]1[CH:20]=[CH:19][C:16](/[CH:17]=[N:1]/[C:2]2[CH:3]=[CH:4][C:5]([C:6]([O:8][CH3:9])=[O:7])=[CH:10][CH:11]=2)=[CH:15][C:14]=1[N+:21]([O-:23])=[...
1
C(#N)C1=C(C=CC=C1)C1=NC(=C(C(=O)NC[C@@H]2N(CCC2)C(=O)OC(C)(C)C)C=C1)NCCC1=CC(=CC=C1)F>CO[H].Cl>Cl.C(#N)C1=C(C=CC=C1)C1=NC(=C(C(=O)NCC2NCCC2)C=C1)NCCC1=CC(=CC=C1)F
3
C1(=CC=CC=C1)B(O)O.IC1=C(C(=O)OC)C=C(C=C1)C>C1(=CC=CC=C1)C.C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>CC=1C=C(C(=CC1)C1=CC=CC=C1)C(=O)OC
3
C(C1=CC=CC=C1)N1CCOC2=C(C1)N=CC(=N2)N2C(CCC2)C>>Cl.CC1N(CCC1)C1=NC2=C(CNCCO2)N=C1
5
ClC1=C2C(=C(N=N1)Cl)OC(=C2)C(=O)O>C(C)(=O)O>ClC1=NNC(C2=C1OC(=C2)C(=O)O)=O
3
[Si](C)(C)(C(C)(C)C)OCC(C=O)(C)C.NC1=C2C(=NC=N1)N(N=C2C2=CC=C(C=C2)OC2=CC=CC=C2)[C@H]2CN(CCC2)C(CC#N)=O>>NC1=C2C(=NC=N1)N(N=C2C2=CC=C(C=C2)OC2=CC=CC=C2)[C@H]2CN(CCC2)C(=O)C(C#N)=CC(CO[Si](C)(C)C(C)(C)C)(C)C
5
C(=O)=O.FC=1C=C(N)C=CC1N1CCOCC1.C(Cl)[C@@H]1CO1.ClC[C@H](CNC1=CC(=C(C=C1)N1CCOCC1)F)O>N(C)(C)C=O.O.ClCCl.C(C)(=O)OCC.B(F)(F)F.CCOCC.N1=CC=CC2=CC=CC=C12>OC[C@H]1CN(C(O1)=O)C1=CC(=C(C=C1)N1CCOCC1)F
3
[CH:1]1[CH:6]=[C:5]([CH2:7][SH:8])[C:4](Br)=[CH:3][CH:2]=1.C([Li])CCC.[C:15]([O:19][C:20]([N:22]1[CH2:27][CH2:26][C:25](=O)[CH2:24][CH2:23]1)=[O:21])([CH3:18])([CH3:17])[CH3:16].[Cl-].[NH4+].[OH-].[Na+].C(OC(OC(C)(C)C)=O)(OC(C)(C)C)=O>O1CCCC1.CCCCCC>[C:15]([O:19][C:20]([N:22]1[CH2:27][CH2:26][C:25]2([C:4]3[CH:3]=[CH:2]...
1
S(Cl)([Cl:3])=O.[CH:5]1([CH2:12][C:13]([OH:15])=O)[CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6]1>>[CH:5]1([CH2:12][C:13]([Cl:3])=[O:15])[CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6]1
2
CI.ClC1=C2C=C(NC2=CC(=C1)Cl)C(=O)OCC>>ClC1=C2C=C(N(C2=CC(=C1)Cl)C)C(=O)OCC
5
O1COC2=C1C=CC(=C2)CCO>>O1COC2=C1C=CC(=C2)CC=O
5
[CH3:1][C:2]1([CH3:11])[O:6][C@@H:5]2[CH:7]=[CH:8][C@H:9]([OH:10])[C@@H:4]2[O:3]1>CO.[Pd]>[CH3:1][C:2]1([CH3:11])[O:6][C@@H:5]2[CH2:7][CH2:8][C:9](=[O:10])[C@@H:4]2[O:3]1.[CH3:1][C:2]1([CH3:11])[O:6][C@@H:5]2[CH2:7][CH2:8][C@H:9]([OH:10])[C@@H:4]2[O:3]1
1
C1(=CC=CC=C1)O.CC=1C=NC(=C(C1OC)C)C[S+](C=2NC=3C=CC(=CC3N2)OC)[O-]>>CC=1C=NC(=C(C1OC)C)C[S+](C=2NC=3C=CC(=CC3N2)OC)[O-].C=1C=CC2=C(C1)C=CC(=C2C3=C4C=CC=CC4=CC=C3O)O
5
C(C)(C)(C)OC(=O)N1CCC(CC1)CN.CC12CC3(CC(CC(C1)(C3)C)C2)CC(=O)NC2=C3C=COC(C3=CC=C2)=O>>CC12CC3(CC(CC(C1)(C3)C)C2)CC(=O)NC2=C3C=CN(C(C3=CC=C2)=O)CC2CCNCC2
3
NC1=NC=C(N=C1)Br.[Si](C)(C)(C(C)(C)C)OC=1C(=C(C=CC1C1CCCCC1)B(O)O)F>C([O-])([O-])=O.[K+].[K+].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]>[Si](C)(C)(C(C)(C)C)OC=1C(=C(C=CC1C1CCCCC1)C=1N=CC(=NC1)N)F
3
[NH2:1][CH2:2][C:3]1[C:4]([F:20])=[C:5]([O:10][C:11]2[CH:12]=[C:13]([CH:16]=[C:17]([Cl:19])[CH:18]=2)[C:14]#[N:15])[C:6]([Cl:9])=[CH:7][CH:8]=1.CC(OC([N:28](C(OC(C)(C)C)=O)[C:29]1[NH:30][C:31]([C:35](O)=[O:36])=[C:32]([Cl:34])[N:33]=1)=O)(C)C.ClC1N=C(NC(OC(C)(C)C)=O)NC=1C(O)=O.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](...
1
[CH2:1]([C:8]1[C:9](=[O:14])[CH2:10][CH2:11][C:12]=1[OH:13])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[C:15]1([CH3:21])[CH:20]=CC=C[CH:16]=1>C(O)C(C)C>[CH2:1]([C:8]1[C:12](=[O:13])[CH2:11][CH2:10][C:9]=1[O:14][CH2:16][CH:15]([CH3:21])[CH3:20])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
2
NC1=NC=CC(=C1)C>C(C)(=O)OC(C)=O.C(C)(=O)O.C1(C=2C(C(=O)O1)=CC=CC2)=O>CC1=CC(=NC=C1)N1C(C2=CC=CC=C2C1=O)=O
3
C(C)(C)(C)NS(=O)(=O)C=1SC(=CC1)C=1N=CN(C1)C1=NC(=CC(=N1)C1=CC(=C(C=C1)C(F)(F)F)C)C(F)(F)F>ClCCl.C(=O)(C(F)(F)F)O>CC=1C=C(C=CC1C(F)(F)F)C1=NC(=NC(=C1)C(F)(F)F)N1C=NC(=C1)C1=CC=C(S1)S(=O)(=O)N
3
C1COCCN1.O1CCC2=C1C=CC(=C2)C=2SC=C(N2)C(=O)NC=2SC1=C(N2)C=CC(=C1)C(=O)O>O1CCOCC1.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.F[P-](F)(F)(F)(F)F>O1CCC2=C1C=CC(=C2)C=2SC=C(N2)C(=O)NC=2SC1=C(N2)C=CC(=C1)C(=O)N1CCOCC1
3
[CH:1]([C:4]1[C:13]2[CH:12]=[C:11]([NH:14][C:15]3[CH:25]=[CH:24][C:18]([C:19]([O:21][CH2:22][CH3:23])=[O:20])=[CH:17][CH:16]=3)[C:10]([O:26][CH2:27][CH2:28][CH3:29])=[CH:9][C:8]=2[C:7]([CH3:31])([CH3:30])[CH2:6][CH:5]=1)([CH3:3])[CH3:2].[CH:32](=O)[CH3:33]>>[CH2:32]([N:14]([C:11]1[C:10]([O:26][CH2:27][CH2:28][CH3:29])=...
1
[CH2:1]([O:3][N:4]1[C:9]([CH3:11])([CH3:10])[CH2:8][C:7](=[O:12])[CH2:6][C:5]1([CH3:14])[CH3:13])[CH3:2].[CH3:15][Si:16](C#N)([CH3:18])[CH3:17].II.[C:23](#[N:25])C>CCCCCC.C(OCC)(=O)C>[CH2:1]([O:3][N:4]1[C:5]([CH3:13])([CH3:14])[CH2:6][C:7]([C:23]#[N:25])([O:12][Si:16]([CH3:18])([CH3:17])[CH3:15])[CH2:8][C:9]1([CH3:11])...
1
CC(C)=O.Cl.NC[C@H]1CN(CC1)C1=C2C(=NC=C1Br)NC=C2NC(C2=CN=CC=C2)=O>>Cl.BrC=1C(=C2C(=NC1)NC=C2NC(C2=CN=CC=C2)=O)N2C[C@@H](CC2)CNC(C)C
5
[Cl:1][C:2]1[CH:17]=[CH:16][CH:15]=[CH:14][C:3]=1[CH2:4][O:5][C:6]1[CH:13]=[CH:12][C:9]([CH:10]=O)=[CH:8][CH:7]=1.[C:18]12([NH2:28])[CH2:27][CH:22]3[CH2:23][CH:24]([CH2:26][CH:20]([CH2:21]3)[CH2:19]1)[CH2:25]2>>[C:18]12([NH:28][CH2:10][C:9]3[CH:12]=[CH:13][C:6]([O:5][CH2:4][C:3]4[CH:14]=[CH:15][CH:16]=[CH:17][C:2]=4[Cl...
2
[Br-].[CH3:2][C:3]1([CH3:36])[CH2:12][CH2:11][C:10]([CH3:14])([CH3:13])[C:9]2[CH:8]=[C:7]([CH:15]([P+](C3C=CC=CC=3)(C3C=CC=CC=3)C3C=CC=CC=3)[CH3:16])[CH:6]=[CH:5][C:4]1=2.[N:37]1[CH:42]=[CH:41][C:40]([CH:43]=O)=[CH:39][CH:38]=1>C1OCCC1>[CH3:2][C:3]1([CH3:36])[CH2:12][CH2:11][C:10]([CH3:14])([CH3:13])[C:9]2[CH:8]=[C:7](...
1
[F:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([CH3:12])[C:9]([OH:11])=O)=[CH:4][CH:3]=1.[NH2:13][CH2:14][CH2:15][CH2:16][N:17]1[CH2:22][CH2:21][CH:20]([C:23]2[CH:24]=[C:25]([NH:29][C:30](=[O:33])[CH2:31][CH3:32])[CH:26]=[CH:27][CH:28]=2)[CH2:19][CH2:18]1>>[F:1][C:2]1[CH:3]=[CH:4][C:5]([CH:8]([CH3:12])[C:9]([NH:13][CH2:14][CH2:1...
1
N1(C=NC=C1)CC=1C=C(C=CC1)NC=1N=CC2=C(N1)CN(CC2)C(=O)OC(C)(C)C>N(C)(C)C=O.CO[H].C(=O)(C(F)(F)F)O.[OH-].[Na+]>N1(C=NC=C1)CC=1C=C(C=CC1)NC=1N=CC2=C(N1)CNCC2
3
CI.ClC=1C=C(C=CC1Cl)C1CN(CCC1)C(C#CCCO)=O>CC#N.[O-2].[Ag+].[Ag+]>ClC=1C=C(C=CC1Cl)C1CN(CCC1)C(C#CCCOC)=O
3
FC1=C(C=CC(=C1)OC)C1=NNC(=C1)NC(=NC(=O)C=1C(=NN(C1)C)C(F)(F)F)NC1=C(C=CC=C1)F>>FC1=C(C=CC(=C1)O)C1=NNC(=C1)NC(=NC(=O)C=1C(=NN(C1)C)C(F)(F)F)NC1=C(C=CC=C1)F
5
[Cl:1][C:2]1[CH:3]=[C:4]([CH:7]=[C:8]([Cl:21])[C:9]=1[N:10]1[CH:20]=[C:13]2[C:14](Cl)=[N:15][CH:16]=[C:17]([Cl:18])[C:12]2=[N:11]1)[C:5]#[N:6].[CH3:22][C:23]1[N:28]=[CH:27][N:26]=[C:25]([NH2:29])[CH:24]=1.CC1(C)C2C(=C(P(C3C=CC=CC=3)C3C=CC=CC=3)C=CC=2)OC2C(P(C3C=CC=CC=3)C3C=CC=CC=3)=CC=CC1=2.C(=O)([O-])[O-].[Cs+].[Cs+]>...
1
[O:1]=[C:2]1[CH2:7][CH2:6][CH:5]([N:8]2[C:13](=[O:14])[C:12]([CH2:15][C:16]3[CH:21]=[CH:20][C:19]([C:22]4[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=4[C:28]4[NH:32][C:31](=[O:33])[O:30][N:29]=4)=[CH:18][CH:17]=3)=[C:11]([CH2:34][CH2:35][CH3:36])[N:10]3[N:37]=[CH:38][N:39]=[C:9]23)[CH2:4][CH2:3]1.[CH2:40](O)[CH2:41][CH2:42][OH...
1
[NH2:1][C:2]1[CH:11]=[CH:10][C:5]([C:6]([NH:8][CH3:9])=[O:7])=[CH:4][C:3]=1[O:12][CH3:13].Cl[C:15]1[N:20]=[C:19]([NH:21][CH3:22])[C:18]([Cl:23])=[CH:17][N:16]=1>>[Cl:23][C:18]1[C:19]([NH:21][CH3:22])=[N:20][C:15]([NH:1][C:2]2[CH:11]=[CH:10][C:5]([C:6]([NH:8][CH3:9])=[O:7])=[CH:4][C:3]=2[O:12][CH3:13])=[N:16][CH:17]=1
1
[C:1]([N:5]1[C:9]2=[N:10][CH:11]=[N:12][C:13]([NH:14][C:15](=[O:17])[CH3:16])=[C:8]2[C:7]([C:18]2[CH:23]=[CH:22][C:21]([Cl:24])=[CH:20][CH:19]=2)=[N:6]1)([CH3:4])([CH3:3])[CH3:2].[C:25](=O)([O-])[O-].[K+].[K+].CI>CN(C=O)C>[C:1]([N:5]1[C:9]2=[N:10][CH:11]=[N:12][C:13]([N:14]([CH3:25])[C:15](=[O:17])[CH3:16])=[C:8]2[C:7]...
2
COC=1C=C(C(C(=O)OC)=CC1)O>>COC1=CC(=C(C(=O)OC)C=C1)OS(=O)(=O)C(F)(F)F
5
[F:1][CH:2]([F:25])[C:3]1[N:8]2[N:9]=[CH:10][C:11]([C:12](O)=[O:13])=[C:7]2[N:6]=[C:5]([C:15]2[CH:20]=[CH:19][C:18]([C:21]([F:24])([F:23])[F:22])=[CH:17][CH:16]=2)[CH:4]=1.[OH:26][CH2:27][CH2:28][NH:29][S:30]([C:33]1[S:34][C:35]([Cl:39])=[C:36]([NH2:38])[CH:37]=1)(=[O:32])=[O:31]>>[Cl:39][C:35]1[S:34][C:33]([S:30](=[O:...
1
[O:1]=[C:2]1[CH2:7][NH:6][CH2:5][CH2:4][N:3]1[CH:8]1[CH2:17][CH2:16][C:15]2[CH:14]=[C:13]([C:18]#[N:19])[CH:12]=[CH:11][C:10]=2[CH2:9]1.[CH3:20][O:21][C:22]1[CH:27]=[C:26]([N+:28]([O-:30])=[O:29])[CH:25]=[CH:24][C:23]=1[CH2:31][CH:32]=O>>[CH3:20][O:21][C:22]1[CH:27]=[C:26]([N+:28]([O-:30])=[O:29])[CH:25]=[CH:24][C:23]=...
1
[CH:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3][C:2]=1[O:11][CH2:12][C@@H:13]1[CH2:17][CH2:16][NH:15][CH2:14]1.[C:18](=O)([O:29]C1C=CC([N+]([O-])=O)=CC=1)[O:19][CH2:20][C:21]1[O:25][N:24]=[C:23]([C:26](=[O:28])[NH2:27])[CH:22]=1.CN1CCOCC1.O>ClCCl>[CH:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[C...
1
[C:1]([C:5]1[CH:9]=[C:8]([NH:10][C:11]([NH:13][C:14]2[CH:19]=[CH:18][C:17]([CH3:20])=[C:16]([C:21]3[C:32](=[O:33])[N:31]([CH3:34])[C:24]4[N:25]=[C:26](SC)[N:27]=[CH:28][C:23]=4[CH:22]=3)[CH:15]=2)=[O:12])[O:7][N:6]=1)([CH3:4])([CH3:3])[CH3:2].[CH3:35][NH2:36].C1COCC1>>[C:1]([C:5]1[CH:9]=[C:8]([NH:10][C:11]([NH:13][C:14...
1
FC=1C=C(C=O)C=CC1F.OC1=CC(=NC=C1)C(F)(F)F>>FC=1C=C(C=O)C=CC1OC1=CC(=NC=C1)C(F)(F)F
5
[N:1]([C:4]1[CH:5]=[C:6]([NH:11][C:12]2[N:17]=[C:16]([C:18]([F:21])([F:20])[F:19])[CH:15]=[CH:14][N:13]=2)[CH:7]=[C:8]([CH3:10])[CH:9]=1)=[N+:2]=[N-:3].[C:22]([C:24]1([OH:34])[CH2:33][CH2:32][C:27]2([O:31][CH2:30][CH2:29][O:28]2)[CH2:26][CH2:25]1)#[CH:23].O=C1O[C@H]([C@H](CO)O)C([O-])=C1O.[Na+]>CN(C=O)C.O.O.O.O.O.O.S([...
2
ClC1=C(C=CC(=C1)I)NC([C@H]([C@@H](C)C1=CC=CC=C1)N1C(N[C@@H](C1=O)C1=CC=C(C=C1)OCCO)=O)=O>>ClC1=C(C=CC(=C1)I)NC([C@H]([C@@H](C)C1=CC=CC=C1)N1C(N[C@H](C1=O)C1=CC=C(C=C1)OCCO)=O)=O
5
[CH3:1][O:2][CH2:3][CH2:4][C:5]1([C:11]([O:13][C:14]([CH3:17])([CH3:16])[CH3:15])=[O:12])SCCCS1.O.BrN1C(=[O:25])CCC1=O>CC(C)=O>[CH3:1][O:2][CH2:3][CH2:4][C:5](=[O:25])[C:11]([O:13][C:14]([CH3:17])([CH3:16])[CH3:15])=[O:12]
1
[O:1]1[C:5]([C:6]2[CH:11]=[CH:10][CH:9]=[CH:8][N:7]=2)=[CH:4][N:3]=[CH:2]1.[Li]CCCC.[C:17](O)(=[O:23])[CH2:18][CH2:19][CH2:20][CH2:21][CH3:22].C(Cl)(=O)C(Cl)=O>C1COCC1.C(Cl)Cl.[Cl-].[Cl-].[Zn+2]>[N:7]1[CH:8]=[CH:9][CH:10]=[CH:11][C:6]=1[C:5]1[O:1][C:2]([C:17](=[O:23])[CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])=[N:3][CH:4...
1
[OH:1][NH:2][C:3]([C:5]1[CH:13]=[CH:12][C:11]2[N:10]3[CH2:14][CH2:15][CH:16]([CH2:17][C:18]([O:20][C:21]([CH3:24])([CH3:23])[CH3:22])=[O:19])[C:9]3=[CH:8][C:7]=2[CH:6]=1)=[NH:4].C(N(CC)CC)C.[Cl:32][C:33]1[N:34]=[CH:35][C:36]([C:39](Cl)=O)=[N:37][CH:38]=1>O1CCOCC1>[Cl:32][C:33]1[N:34]=[CH:35][C:36]([C:39]2[O:1][N:2]=[C:...
2
O1CCCCC1[N:7]1[C:15]2[C:10](=[CH:11][C:12]([C:16]3[N:20]=[CH:19][N:18](C(C4C=CC=CC=4)(C4C=CC=CC=4)C4C=CC=CC=4)[N:17]=3)=[CH:13][CH:14]=2)[C:9]([C:40]2[CH:41]=[C:42]([NH2:46])[CH:43]=[CH:44][CH:45]=2)=[N:8]1.[CH3:47][CH:48]([CH3:53])[CH2:49][C:50](Cl)=[O:51].O>N1C=CC=CC=1>[NH:18]1[CH:19]=[N:20][C:16]([C:12]2[CH:11]=[C:1...
1
Br[C:2]1[CH:7]=[CH:6][C:5]([S:8]([NH:11][C:12]2[CH:17]=[C:16]([N:18]3[CH2:23][CH2:22][NH:21][C:20]([CH3:25])([CH3:24])[C:19]3=[O:26])[CH:15]=[CH:14][C:13]=2[O:27][CH3:28])(=[O:10])=[O:9])=[CH:4][C:3]=1[F:29].[CH3:30][C:31]1[O:35][C:34](B(O)O)=[CH:33][CH:32]=1.C(=O)([O-])[O-].[Na+].[Na+].[ClH:45].CCOCC>COCCOC.Cl[Pd](Cl)...
2
[CH3:1][O:2][C:3]1[CH:8]=[C:7]([N+:9]([O-])=O)[CH:6]=[CH:5][C:4]=1[OH:12]>CO>[NH2:9][C:7]1[CH:6]=[CH:5][C:4]([OH:12])=[C:3]([O:2][CH3:1])[CH:8]=1
2