HRID88665

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12634874

(4-Chlorophenyl)(4-fluorophenyl)methanol

C13H10ClFO

结构：CSCc1cccc2c(C(c3ccc(F)cc3)c3ccc(F)cc3)c[nH]c12

HCID58392127

未命名化合物

HCID58392227

未命名化合物

PRODUCTS

生成物

结构：CSCc1cc(F)cc2c(C(c3ccc(F)cc3)c3ccc(Cl)cc3)c[nH]c12

HCID58392172

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-788acea411f24f799bbcef7c76bc2993
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Cl:14][c:15]1[cH:16][cH:17][c:18]([CH:21]([OH:22])[c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[cH:19][cH:20]1.[F:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][nH:7][c:8]2[c:9]([CH2:11][S:12][CH3:13])[cH:10]1.[F:30][c:31]1[cH:32][cH:33][c:34]([CH:35]([c:36]2[cH:37][cH:38][c:39]([F:40])[cH:41][cH:42]2)[c:43]2[c:44]3[c:45]([c:46]([CH2:47][S:48][CH3:49])[cH:50][cH:51][cH:52]3)[nH:53][cH:54]2)[cH:55][cH:56]1>>[F:1][c:2]1[cH:3][c:4]2[c:5]([CH:21]([c:18]3[cH:17][cH:16][c:15]([Cl:14])[cH:20][cH:19]3)[c:23]3[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]3)[cH:6][nH:7][c:8]2[c:9]([CH2:11][S:12][CH3:13])[cH:10]1