HRID295078

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID9942311

2-CHLOROBENZOYL ISOCYANATE

C8H4ClNO2

结构：Cc1cc(N)c(C)c(Cl)c1Oc1ccc(Cl)c2ccccc12

HCID13246006

3-Chloro-4-[(4-chloronaphthalen-1-yl)oxy]-2,5-dimethylaniline

C18H15Cl2NO

PRODUCTS

生成物

结构：Cc1cc(NC(=O)NC(=O)c2ccccc2Cl)c(C)c(Cl)c1Oc1ccc(Cl)c2ccccc12

HCID13262125

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-657527758bc34a86aefbfb4ab1e6ecc4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[Cl:1][c:2]1[c:3]([CH3:22])[c:4]([NH2:5])[cH:6][c:7]([CH3:21])[c:8]1[O:9][c:10]1[cH:11][cH:12][c:13]([Cl:20])[c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]12.[Cl:23][c:24]1[c:25]([C:26](=[O:27])[N:28]=[C:29]=[O:30])[cH:31][cH:32][cH:33][cH:34]1>>[Cl:1][c:2]1[c:3]([CH3:22])[c:4]([NH:5][C:29]([NH:28][C:26]([c:25]2[c:24]([Cl:23])[cH:34][cH:33][cH:32][cH:31]2)=[O:27])=[O:30])[cH:6][c:7]([CH3:21])[c:8]1[O:9][c:10]1[cH:11][cH:12][c:13]([Cl:20])[c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]12