HRID1142664

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID67996

4-Trifluoromethylbenzaldehyde

C8H5F3O

HCID58392259

未命名化合物

结构：CSCc1c(F)ccc2c(C(c3ccc(Cl)cc3)C3C(=O)OC(C)(C)OC3=O)c[nH]c12

HCID58392508

未命名化合物

PRODUCTS

生成物

结构：CSCc1c(F)ccc2c(C(c3ccc(C(F)(F)F)cc3)C3C(=O)OC(C)(C)OC3=O)c[nH]c12

HCID58392188

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-239705a785544eb8bdd3eeb7370a5821
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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