HRID1207019

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID67967

1-Nitro-2,4-difluorobenzene

C6H3F2NO2

HCID81531

Diisopropylethylamine

C8H19N

HCID58409113

未命名化合物

PRODUCTS

生成物

结构：CCOC1CCC(N2CCC(Nc3cc(F)ccc3[N+](=O)[O-])CC2)CC1

HCID59565508

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c2b7b46f0dde408f88ff7382f08d2864
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

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