HRID2124614

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3776

Isopropanol

C3H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID3847030

4,4-Difluorocyclohexanamine

C6H11F2N

HCID58394774

未命名化合物

PRODUCTS

产物

HCID67345087

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6c2afcbe24484906b2b3953955982122
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

[CH3:42][CH:43]([OH:44])[CH3:45].[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41].[ClH:23].[F:24][C:25]1([F:32])[CH2:26][CH2:27][CH:28]([NH2:31])[CH2:29][CH2:30]1.[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][cH:12][c:13]3[c:14]2[n:15][cH:16][c:17]([N+:20](=[O:21])[O-:22])[c:18]3[Cl:19])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][cH:12][c:13]3[c:14]2[n:15][cH:16][c:17]([N+:20](=[O:21])[O-:22])[c:18]3[NH:31][CH:28]2[CH2:27][CH2:26][C:25]([F:24])([F:32])[CH2:30][CH2:29]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1