HRID803667

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6341

Ethanamine

C2H7N

HCID187872

Ethanaminide

C2H6N-

HCID10114602

未命名化合物

PRODUCTS

产物

HCID10226537

2-(Benzo[1,3]dioxol-5-yloxy)-N-[4-(1-ethylcarbamoyl-1-methyl-ethyl)-benzyl]-nicotinamide

C26H27N3O5

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-349bb61d253346de8004a1fb035a4235
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应SMILES

[CH2:1]([NH-:2])[CH3:3].[CH2:5]([NH2:6])[CH3:7].[ClH:4].[O:8]1[CH2:9][O:10][c:11]2[c:12]1[cH:13][cH:14][c:15]([O:17][c:18]1[c:19]([C:20](=[O:21])[NH:22][CH2:23][c:24]3[cH:25][cH:26][c:27]([C:30]([CH3:31])([C:32]([NH:33][CH3:34])=[O:35])[CH3:36])[cH:28][cH:29]3)[cH:37][cH:38][cH:39][n:40]1)[cH:16]2>>[CH3:1][CH2:34][NH:33][C:32]([C:30]([c:27]1[cH:26][cH:25][c:24]([CH2:23][NH:22][C:20]([c:19]2[c:18]([O:17][c:15]3[cH:14][cH:13][c:12]4[c:11]([cH:16]3)[O:10][CH2:9][O:8]4)[n:40][cH:39][cH:38][cH:37]2)=[O:21])[cH:29][cH:28]1)([CH3:31])[CH3:36])=[O:35]