HRID115990

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7947

1,3,5-Trimethylbenzene

C9H12

HCID8058

n-Hexane

C6H14

HCID9845

Trifluoroacetic anhydride

C4F6O3

HCID13679

Phenyl sulfoxide

C12H10OS

HCID62406

未命名化合物

PRODUCTS

生成物

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

结构：Cc1cc(C)c([S+](c2ccccc2)c2ccccc2)c(C)c1

HCID17834769

Diphenyl(2,4,6-trimethylphenyl)sulfanium

C21H21S+

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f98ce8cef53f48af84c11f5a67b26c84
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

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