HRID114186

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID67968

alpha-Bromo-o-fluorotoluene

C7H6BrF

HCID81531

Diisopropylethylamine

C8H19N

结构：CCOC(=O)COc1cc(Oc2ccc(CNc3cccc([N+](=O)[O-])c3C)cc2)ccc1Cl

HCID86759033

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)COc1cc(Oc2ccc(CN(Cc3ccccc3F)c3cccc([N+](=O)[O-])c3C)cc2)ccc1Cl

HCID86586239

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb4eb66e108d4a3dbf105c61bbda8517
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:43][CH2:44][c:45]1[c:46]([F:51])[cH:47][cH:48][cH:49][cH:50]1.[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Cl:1][c:2]1[c:3]([O:4][CH2:5][C:6](=[O:7])[O:8][CH2:9][CH3:10])[cH:11][c:12]([O:15][c:16]2[cH:17][cH:18][c:19]([CH2:22][NH:23][c:24]3[c:25]([CH3:33])[c:26]([N+:30](=[O:31])[O-:32])[cH:27][cH:28][cH:29]3)[cH:20][cH:21]2)[cH:13][cH:14]1>>[Cl:1][c:2]1[c:3]([O:4][CH2:5][C:6](=[O:7])[O:8][CH2:9][CH3:10])[cH:11][c:12]([O:15][c:16]2[cH:17][cH:18][c:19]([CH2:22][N:23]([c:24]3[c:25]([CH3:33])[c:26]([N+:30](=[O:31])[O-:32])[cH:27][cH:28][cH:29]3)[CH2:44][c:45]3[c:46]([F:51])[cH:47][cH:48][cH:49][cH:50]3)[cH:20][cH:21]2)[cH:13][cH:14]1