HRID2313155

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID119440

1-Hydroxyethyl radical

C2H5O-

HCID268296

4-(Bromomethyl)quinolin-2(1H)-one

C10H8BrNO

结构：CCOC(=O)C(NC(=O)c1ccc(Cl)cc1)C(=O)OCC

HCID13540809

Diethyl (4-chlorobenzamido)propanedioate

C14H16ClNO5

PRODUCTS

生成物

结构：CCOC(=O)C(Cc1cc(=O)[nH]c2ccccc12)(NC(=O)c1ccc(Cl)cc1)C(=O)OCC

HCID11465574

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5cf9ab10a2ea4e80bfce8a54147453d9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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