HRID833338

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

反应SMILES：COc1ccc(-c2c(C(=O)c3ccccc3)cnc3c(C(F)(F)F)cccc23)cc1

HCID11165686

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(c1ccccc1)c1cnc2c(C(F)(F)F)cccc2c1-c1ccc(O)cc1

HCID135518299

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a1771609f5d34fef8cfac47cfebb4c23
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应SMILES

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