HRID1543475

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID14041

Propanedioic acid, 2-(acetylamino)-, 1,3-diethyl ester

C9H15NO5

HCID119440

1-Hydroxyethyl radical

C2H5O-

HCID224969

未命名化合物

HCID236603

Bromodiphenylmethane

C13H11Br

PRODUCTS

生成物

结构：CCOC(=O)C(NC(C)=O)(C(=O)OCC)C(c1ccccc1)c1ccccc1

HCID14211495

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c5fe06d345d4f6eb04356875d001d16
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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