HRID1127568

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID3614551

2-oxa-5-azabicyclo[2.2.1]heptane

C5H9NO

结构：O=[N+]([O-])c1ccc(-c2nc(Cl)c3cnn(CC(F)(F)F)c3n2)cc1

HCID57654248

未命名化合物

PRODUCTS

生成物

结构：O=[N+]([O-])c1ccc(-c2nc(N3CC4CC3CO4)c3cnn(CC(F)(F)F)c3n2)cc1

HCID178526547

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f71c10da36c6444286a093ecf48ae4fa
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

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