HRID1552613

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID105144

Palladium(2+)

Pd+2

HCID58726901

未命名化合物

PRODUCTS

生成物

HCID58727100

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc43ff61fb4f4fe3ab198e47e12a7b60
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br-:31].[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([c:7]([NH:10][CH2:11][CH2:12][CH2:13][NH2:14])[n:8][s:9]2)[cH:15]1.[CH2:50]([Cl:51])[Cl:52].[CH3:32][CH2:33][CH2:34][CH2:35][N+:36]([CH2:37][CH2:38][CH2:39][CH3:40])([CH2:41][CH2:42][CH2:43][CH3:44])[CH2:45][CH2:46][CH2:47][CH3:48].[Na+:25].[Na+:26].[O-:27][C:28](=[O:29])[O-:30].[O-:54][C:55]([CH3:56])=[O:57].[O-:58][C:59]([CH3:60])=[O:61].[OH2:49].[OH:16][B:17]([OH:18])[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1.[Pd+2:53]>>[c:2]1(-[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:3][cH:4][c:5]2[c:6]([c:7]([NH:10][CH2:11][CH2:12][CH2:13][NH2:14])[n:8][s:9]2)[cH:15]1