HRID1556725

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

结构：COC(=O)c1ccc(C=CCc2nccn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1-c1ccc(F)cc1

HCID53761990

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C=CCc2ncc[nH]2)cc1-c1ccc(F)cc1

HCID53855027

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-afc8211a4472412388cdea13c1b6b990
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[n:20]1[c:21]([CH2:25][CH:26]=[CH:27][c:28]2[cH:29][c:30](-[c:38]3[cH:39][cH:40][c:41]([F:44])[cH:42][cH:43]3)[c:31]([C:32](=[O:33])[O:34][CH3:35])[cH:36][cH:37]2)[n:22][cH:23][cH:24]1.[CH3:45][C:46](=[O:47])[OH:48].[CH3:50][OH:51].[ClH:49]>>[nH:20]1[c:21]([CH2:25][CH:26]=[CH:27][c:28]2[cH:29][c:30](-[c:38]3[cH:39][cH:40][c:41]([F:44])[cH:42][cH:43]3)[c:31]([C:32](=[O:33])[O:34][CH3:35])[cH:36][cH:37]2)[n:22][cH:23][cH:24]1