HRID1223047

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

结构：CC(C)C(O)(c1cccc(-c2ccc(F)cc2F)c1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

HCID18668569

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(O)(c1cccc(-c2ccc(F)cc2F)c1)c1c[nH]cn1

HCID178450131

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f646d4284d8247dfa5b107e38144ee68
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

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