HRID2320463

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID22382040

2-Chloro-6-methylbenzoyl chloride

C8H6Cl2O

结构：CC(=O)OC(C)OC(=O)C(N)Cc1ccc(-c2c(C)n(C)c(=O)n(C)c2=O)cc1

HCID22613727

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OC(C)OC(=O)C(Cc1ccc(-c2c(C)n(C)c(=O)n(C)c2=O)cc1)NC(=O)c1c(C)cccc1Cl

HCID22613721

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-331e149f217b49eca7b52a16d81a901c
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

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