HRID2129471

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID66053

N,N-Dimethylethylenediamine

C4H12N2

结构：O=c1n(-c2ccc(Oc3ccccc3)cc2)ccn1-c1ccc(F)c([N+](=O)[O-])c1

HCID21873435

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCNc1ccc(-n2ccn(-c3ccc(Oc4ccccc4)cc3)c2=O)cc1[N+](=O)[O-]

HCID21873399

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-88aec1a5ab114375bf151c7107b41425
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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