HRID205239

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7670

N-Ethylaniline

C8H11N

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID243025

2-Bromo-5-nitrobenzoic acid

C7H4BrNO4

PRODUCTS

生成物

结构：CCN(C(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccccc1

HCID22288552

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-53b6487764bf492b9b6454ab54e6e77e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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