HRID1203278

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID122425

5-Nitro-2-pyridylaminoethyl-2-amine

C7H10N4O2

结构：O=[N+]([O-])c1ncc(Br)nc1-c1ccc(Cl)cc1Cl

HCID22318510

未命名化合物

PRODUCTS

生成物

结构：O=[N+]([O-])c1ccc(NCCNc2cnc([N+](=O)[O-])c(-c3ccc(Cl)cc3Cl)n2)nc1

HCID10182377

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c49dec7baf404a87a0e678728604b50f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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