HRID2157212

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3776

Isopropanol

C3H8O

HCID22386

Pentan-2-ol

C5H12O

HCID10154098

5-Amino-4-fluoro-2-methylphenol

C7H8FNO

HCID21991061

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COc1cc2c(Nc3cc(O)c(C)cc3F)cnnc2cc1OCc1csc(C)n1

HCID21991029

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61e3b99c222a4d7084576189ec9c1848
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

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