HRID946518

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID6371

Phosgene

CCl2O

HCID8471

Triethylamine

C6H15N

结构：CCOc1cc(C(C)(C)C)ccc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1

HCID53628801

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(C)(C)C)ccc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)Cl

HCID72455721

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-478b4658506943d695fdac18125b07d7
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([CH3:34])[N:9]=[C:10]([c:21]3[c:22]([O:31][CH2:32][CH3:33])[cH:23][c:24]([C:27]([CH3:28])([CH3:29])[CH3:30])[cH:25][cH:26]3)[NH:11][C:12]2([CH3:13])[c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:6][cH:7]1.[Cl:42][C:43]([Cl:44])=[O:45].[Cl:46][CH2:47][Cl:48]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([CH3:34])[N:9]=[C:10]([c:21]3[c:22]([O:31][CH2:32][CH3:33])[cH:23][c:24]([C:27]([CH3:28])([CH3:29])[CH3:30])[cH:25][cH:26]3)[N:11]([C:43]([Cl:42])=[O:45])[C:12]2([CH3:13])[c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:6][cH:7]1