HRID1120996

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

HCID22562145

未命名化合物

HCID59419785

1-Bromo-5-fluoro-4-nitro-2-(trifluoromethyl)benzene

C7H2BrF4NO2

PRODUCTS

生成物

结构：O=[N+]([O-])c1cc(C(F)(F)F)c(Br)cc1NC1CCN(C2CCOCC2)CC1

HCID59850135

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-775ac2301ae740acaa8432579fc59293
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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