HRID1224107

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3776

Isopropanol

C3H8O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID22386

Pentan-2-ol

C5H12O

HCID10154098

5-Amino-4-fluoro-2-methylphenol

C7H8FNO

HCID21991019

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COc1cc2c(Nc3cc(O)c(C)cc3F)cnnc2cc1OCc1nccn1C

HCID21991025

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ebbabc3fa78b461f96fa7773b58f09d9
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

[CH3:37][CH:38]([OH:39])[CH2:40][CH2:41][CH3:42].[CH:33]([OH:34])([CH3:35])[CH3:36].[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]([CH3:21])[cH:18][cH:19][n: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.[O:43]=[CH:44][N:45]([CH3:46])[CH3:47]>>[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]([CH3:21])[cH:18][cH:19][n:20]3)[c:9]([O:12][CH3:13])[cH:10][c:11]12