HRID1201749

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID7412

Benzoyl chloride

C7H5ClO

HCID19660

Carbonate

CO3-2

结构：CC(C)C(NC(=O)C(N)Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O

HCID18223416

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O

HCID70542848

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-167d000badcd421fa6a2f2c32abf6e80
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:44]([c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)(=[O:51])[Cl:52].[CH:1]([Cl:2])([Cl:3])[Cl:4].[NH2:5][CH:6]([CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[C:14](=[O:15])[NH:16][CH:17]([CH:18]([CH3:19])[CH3:20])[C:21](=[O:22])[NH:23][CH:24]([CH2:25][c:26]1[cH:27][nH:28][c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]12)[C:35](=[O:36])[OH:37].[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43].[OH2:53]>>[NH:5]([CH:6]([CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[C:14](=[O:15])[NH:16][CH:17]([CH:18]([CH3:19])[CH3:20])[C:21](=[O:22])[NH:23][CH:24]([CH2:25][c:26]1[cH:27][nH:28][c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]12)[C:35](=[O:36])[OH:37])[C:44]([c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)=[O:51]