HRID189759

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID10583430

未命名化合物

HCID61702587

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2cccc(F)c2)ncc1C(=O)Nn1ccc2cc([N+](=O)[O-])ccc21

HCID59199956

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ccaff985bd14645ab3e242b384da2a1
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

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