HRID1201268

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID10868208

4-Fluoro-3-nitrobenzyl bromide

C7H5BrFNO2

反应SMILES：CCc1ccc(-c2nc3cccc(N4CCNCC4)c3[nH]2)cc1

HCID178435849

未命名化合物

PRODUCTS

产物

反应SMILES：CCc1ccc(-c2nc3cccc(N4CCN(Cc5ccc(F)c([N+](=O)[O-])c5)CC4)c3[nH]2)cc1

HCID178435850

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-73a9870793d343c3b2f825185332699d
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

[Br:24][CH2:25][c:26]1[cH:27][c:28]([N+:33](=[O:34])[O-:35])[c:29]([F:32])[cH:30][cH:31]1.[CH2:1]([CH3:2])[c:3]1[cH:4][cH:5][c:6](-[c:9]2[n:10][c:11]3[c:12]([nH:13]2)[c:14]([N:18]2[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]2)[cH:15][cH:16][cH:17]3)[cH:7][cH:8]1.[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49]>>[CH2:1]([CH3:2])[c:3]1[cH:4][cH:5][c:6](-[c:9]2[n:10][c:11]3[c:12]([nH:13]2)[c:14]([N:18]2[CH2:19][CH2:20][N:21]([CH2:25][c:26]4[cH:27][c:28]([N+:33](=[O:34])[O-:35])[c:29]([F:32])[cH:30][cH:31]4)[CH2:22][CH2:23]2)[cH:15][cH:16][cH:17]3)[cH:7][cH:8]1