HRID104955

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

HCID58409113

未命名化合物

PRODUCTS

生成物

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

HCID59565515

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e258fe95e1774e3c8d74e34003399d17
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]([CH3:15])[O:16][CH:17]1[CH2:18][CH2:19][CH:20]([N:23]2[CH2:24][CH2:25][CH:26]([NH2:29])[CH2:27][CH2:28]2)[CH2:21][CH2:22]1.[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[CH:30]([N:31]([CH:32]([CH3:33])[CH3:34])[CH2:35][CH3:36])([CH3:37])[CH3:38].[ClH:12].[ClH:13]>>[Br:1][c:2]1[cH:3][c:4]([NH:29][CH:26]2[CH2:25][CH2:24][N:23]([CH:20]3[CH2:19][CH2:18][CH:17]([O:16][CH2:14][CH3:15])[CH2:22][CH2:21]3)[CH2:28][CH2:27]2)[c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1