HRID1120220

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1031

1-Propanol

C3H8O

HCID11776

Triphenylphosphine

C18H15P

HCID78870

2-Bromo-4-nitroanisole

C7H6BrNO3

HCID105144

Palladium(2+)

Pd+2

HCID2734312

[4-(Aminomethyl)phenyl]boronic acid

C7H10BNO2

PRODUCTS

生成物

结构：COc1ccc([N+](=O)[O-])cc1-c1ccc(CN)cc1

HCID21914155

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e3af09c7aa66406b8db704348534bc83
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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