HRID199382

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID12081

Benzoic acid, 4-bromo-, methyl ester

C8H7BrO2

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID2734322

2-Chlorophenylboronic acid

C6H6BClO2

PRODUCTS

生成物

HCID1393555

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d246ffa4d4a481fbdeb04136a74d150
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([Br:10])[cH:8][cH:9]1)=[O:11].[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[Cl:12][c:13]1[c:14]([B:19]([OH:20])[OH:21])[cH:15][cH:16][cH:17][cH:18]1.[Na+:22].[Na+:23].[O-:24][C:25](=[O:26])[O-:27].[O-:60][C:61]([CH3:62])=[O:63].[O-:64][C:65]([CH3:66])=[O:67].[OH2:52].[Pd+2:59].[c:28]1([P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7](-[c:14]2[c:13]([Cl:12])[cH:18][cH:17][cH:16][cH:15]2)[cH:8][cH:9]1)=[O:11]