HRID99169

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID7806

p-Bromoclorobenzene

C6H4BrCl

HCID31275

1,4-Dioxane

C4H8O2

HCID4574913

未命名化合物

HCID22052386

未命名化合物

PRODUCTS

产物

HCID22052328

N-[1-(4-chlorophenyl)piperidin-4-yl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide

C27H27Cl3N2O3

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-88f26c6cee054e08a11e7c0fb15d7da9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[Br:30][c:31]1[cH:32][cH:33][c:34]([Cl:37])[cH:35][cH:36]1.[CH3:38][C:39]([CH3:40])([O-:41])[CH3:42].[Cl:2][c:3]1[c:4]([CH2:10][CH2:11][O:12][c:13]2[cH:14][c:15]([C:16](=[O:17])[NH:18][CH:19]3[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]3)[cH:25][cH:26][c:27]2[O:28][CH3:29])[cH:5][cH:6][c:7]([Cl:9])[cH:8]1.[ClH:1].[Na+:43].[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1>>[Cl:2][c:3]1[c:4]([CH2:10][CH2:11][O:12][c:13]2[cH:14][c:15]([C:16](=[O:17])[NH:18][CH:19]3[CH2:20][CH2:21][N:22]([c:31]4[cH:32][cH:33][c:34]([Cl:37])[cH:35][cH:36]4)[CH2:23][CH2:24]3)[cH:25][cH:26][c:27]2[O:28][CH3:29])[cH:5][cH:6][c:7]([Cl:9])[cH:8]1