HRID1557359

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7412

Benzoyl chloride

C7H5ClO

HCID81531

Diisopropylethylamine

C8H19N

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)c3ccccc3)c1)N2

HCID67442738

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d06e00dd88af45e0b1b1af068909b678
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

[C:36]([c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)(=[O:43])[Cl:44].[CH:27]([N:28]([CH2:29][CH3:30])[CH:31]([CH3:32])[CH3:33])([CH3:34])[CH3:35].[Cl:45][CH2:46][Cl:47].[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:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)=[O:43])[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