HRID297697

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID17286

Benzoic acid, 5-chloro-2-nitro-

C7H4ClNO4

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID81531

Diisopropylethylamine

C8H19N

HCID11736503

3-Methoxy-4-[2-(pyrrolidin-1-yl)ethoxy]aniline

C13H20N2O2

PRODUCTS

生成物

结构：COc1cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1OCCN1CCCC1

HCID21101415

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4c714805d4342e5921983dd666bddb5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:29][O:30][c:31]1[cH:32][c:33]([NH2:45])[cH:34][cH:35][c:36]1[O:37][CH2:38][CH2:39][N:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[CH:20]([N:21]([CH2:22][CH3:23])[CH:24]([CH3:25])[CH3:26])([CH3:27])[CH3:28].[Cl:14][C:15]([C:16]([Cl:17])=[O:18])=[O:19].[Cl:1][c:2]1[cH:3][cH:4][c:5]([N+:11](=[O:12])[O-:13])[c:6]([C:7](=[O:8])[OH:9])[cH:10]1.[Cl:46][CH2:47][Cl:48].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([N+:11](=[O:12])[O-:13])[c:6]([C:7](=[O:9])[NH:45][c:33]2[cH:32][c:31]([O:30][CH3:29])[c:36]([O:37][CH2:38][CH2:39][N:40]3[CH2:41][CH2:42][CH2:43][CH2:44]3)[cH:35][cH:34]2)[cH:10]1