HRID301072

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID75060

2'-Bromoacetophenone

C8H7BrO

HCID105144

Palladium(2+)

Pd+2

HCID2734334

2,4-Difluorophenylboronic acid

C6H5BF2O2

PRODUCTS

生成物

HCID22482272

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1844c6bf634c4fe7a04a4bee5ad199b0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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