HRID1572944

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID14468003

[4'-(Trifluoromethyl)[1,1'-biphenyl]-3-yl]methanol

C14H11F3O

结构：COC(=O)COc1ccc(SCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)c2c1CCC2

HCID20827075

未命名化合物

PRODUCTS

生成物

结构：O=C(O)COc1ccc(SCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)c2c1CCC2

HCID22280056

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76bd6df52aec45aebeb5753bae2aa785
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

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