HRID1547125

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID2736546

2-Chloro-4-fluorobenzoyl chloride

C7H3Cl2FO

结构：COC(=O)c1ccc2c(c1)CC(C)(C)C(c1ccc(F)c([N+](=O)[O-])c1)N2

HCID67442620

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(c1)CC(C)(C)C(c1ccc(F)c(NC(=O)c3ccc(F)cc3Cl)c1)N2

HCID67440538

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dfa53a1cb6aa4c3cac15db42773f9dd4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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