HRID160075

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID78392

2,6-Dichlorobenzoyl chloride

C7H3Cl3O

HCID81531

Diisopropylethylamine

C8H19N

结构：COC(=O)C(N)Cc1ccc(-c2c(C(F)(F)F)cc(C)n(C)c2=O)cc1

HCID22382036

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(-c2c(C(F)(F)F)cc(C)n(C)c2=O)cc1)NC(=O)c1c(Cl)cccc1Cl

HCID22382048

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-09d83127a80d4c679eac4e431e016b50
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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