HRID126577

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

HCID81531

Diisopropylethylamine

C8H19N

HCID2783362

4-Bromo-2-fluoro-1-nitrobenzene

C6H3BrFNO2

HCID59419717

未命名化合物

PRODUCTS

生成物

结构：CCCOC1CCC(N2CCC(Nc3cc(Br)ccc3[N+](=O)[O-])CC2)CC1

HCID59565510

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-debdf488f3754513b2607851424c8b2f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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