HRID113371

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

HCID67966

3-Fluoro-4-nitrotoluene

C7H6FNO2

HCID81531

Diisopropylethylamine

C8H19N

HCID58409113

未命名化合物

PRODUCTS

生成物

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

HCID59565549

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f705430f0274ed190a559f069fc5f81
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

[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].[F:1][c:2]1[c:3]([N+:9](=[O:10])[O-:11])[cH:4][cH:5][c:6]([CH3:8])[cH:7]1>>[c:2]1([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:3]([N+:9](=[O:10])[O-:11])[cH:4][cH:5][c:6]([CH3:8])[cH:7]1