HRID1201507

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID1140

Toluene

C7H8

HCID14487

Diisobutylaluminum hydride

C8H19Al

结构：COC(=O)C(Cc1ccc(Oc2ccc(Cl)cc2)cc1)NC(=O)OC(C)(C)C

HCID67351667

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(C=O)Cc1ccc(Oc2ccc(Cl)cc2)cc1

HCID91607331

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0931df29cfc452da3f9ed897d6e4d1a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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