HRID195701

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

结构：COc1cc(OCC(=O)O)c(C)cc1SCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

HCID9825600

未命名化合物

结构：COC(=O)COc1cc(OC)c(S(=O)(=O)Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1C

HCID20827055

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OCC(=O)O)c(C)cc1S(=O)(=O)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

HCID10311231

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-523e8052a7f44ffb8fef8137fe0a76ca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:1][O:2][C:3]([CH2:4][O:5][c:6]1[c:7]([CH3:34])[cH:8][c:9]([S:14](=[O:15])(=[O:16])[CH2:17][c:18]2[cH:19][cH:20][c:21](-[c:24]3[cH:25][cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]3)[cH:22][cH:23]2)[c:10]([O:12][CH3:13])[cH:11]1)=[O:35].[CH3:36][O:37][c:38]1[c:39]([S:40][CH2:41][c:42]2[cH:43][cH:44][c:45](-[c:46]3[cH:47][cH:48][c:49]([C:50]([F:51])([F:52])[F:53])[cH:54][cH:55]3)[cH:56][cH:57]2)[cH:58][c:59]([CH3:60])[c:61]([O:63][CH2:64][C:65]([OH:66])=[O:67])[cH:62]1.[Cl:68][c:69]1[cH:70][cH:71][cH:72][c:73]([C:74]([O:75][OH:76])=[O:77])[cH:78]1.[Cl:79][CH2:80][Cl:81]>>[O:2]=[C:3]([CH2:4][O:5][c:6]1[c:7]([CH3:34])[cH:8][c:9]([S:14](=[O:15])(=[O:16])[CH2:17][c:18]2[cH:19][cH:20][c:21](-[c:24]3[cH:25][cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]3)[cH:22][cH:23]2)[c:10]([O:12][CH3:13])[cH:11]1)[OH:35]