HRID696737

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

HCID1031

1-Propanol

C3H8O

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID2734322

2-Chlorophenylboronic acid

C6H6BClO2

HCID22280088

(4-Bromo-2-methylphenyl)methanol

C8H9BrO

PRODUCTS

生成物

HCID67448566

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d7e3063fdf414a84a3f617afa2cca426
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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