HRID2329962

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6371

Phosgene

CCl2O

HCID66036

4-Chlorobenzylamine

C7H8ClN

HCID81531

Diisopropylethylamine

C8H19N

结构：CCNCc1cc(F)ccc1-c1cc(CC(=O)OCC)ccc1OC

HCID58149135

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Cc1ccc(OC)c(-c2ccc(F)cc2CN(CC)C(=O)NCc2ccc(Cl)cc2)c1

HCID58149334

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9adb19269cc248c1a252e93768493b20
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

[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[cH:7][c:8](-[c:14]2[c:15]([CH2:21][NH:22][CH2:23][CH3:24])[cH:16][c:17]([F:20])[cH:18][cH:19]2)[c:9]([O:12][CH3:13])[cH:10][cH:11]1)=[O:25].[CH:26]([N:27]([CH:28]([CH3:29])[CH3:30])[CH2:31][CH3:32])([CH3:33])[CH3:34].[Cl:35][C:36]([Cl:37])=[O:38].[Cl:39][c:40]1[cH:41][cH:42][c:43]([CH2:44][NH2:45])[cH:46][cH:47]1.[Cl:48][CH2:49][Cl:50]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[cH:7][c:8](-[c:14]2[c:15]([CH2:21][N:22]([CH2:23][CH3:24])[C:36](=[O:38])[NH:45][CH2:44][c:43]3[cH:42][cH:41][c:40]([Cl:39])[cH:47][cH:46]3)[cH:16][c:17]([F:20])[cH:18][cH:19]2)[c:9]([O:12][CH3:13])[cH:10][cH:11]1)=[O:25]