HRID309894

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID75806

Phosphine, tricyclohexyl-

C18H33P

HCID105144

Palladium(2+)

Pd+2

HCID2760897

Cyclopropylboronic acid

C3H7BO2

HCID21865450

6-Bromo-3,4-dihydroisoquinolin-1(2H)-one

C9H8BrNO

PRODUCTS

生成物

HCID57424117

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-376b54db01094edc8c1f0c906ad5b740
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:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[C:8](=[O:12])[NH:7][CH2:6][CH2:5]2.[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH:13]1([B:16]([OH:17])[OH:18])[CH2:14][CH2:15]1.[CH:19]1([P:20]([CH:21]2[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]2)[CH:27]2[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]2)[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]1.[O-:47][C:48]([CH3:49])=[O:50].[O-:51][C:52]([CH3:53])=[O:54].[OH2:45].[Pd+2:46]>>[c:2]1([CH:13]2[CH2:14][CH2:15]2)[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[C:8](=[O:12])[NH:7][CH2:6][CH2:5]2