HRID2137869

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6395

Methanesulfonic acid

CH4O3S

HCID7366

tert-Butylbenzene

C10H14

结构：CC(C)(C)c1ccc(S(=O)c2ccc(C(C)(C)C)cc2)cc1

HCID18432118

未命名化合物

PRODUCTS

生成物

HCID85257

Methanesulfonate

CH3O3S-

结构：CC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1

HCID5051737

Tris[4-(1,1-dimethylethyl)phenyl]sulfonium

C30H39S+

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-36cc5cb433a84e19a4b74b99c7b1cad9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])[c:13]2[cH:14][cH:15][c:16]([C:19]([CH3:20])([CH3:21])[CH3:22])[cH:17][cH:18]2)[cH:9][cH:10]1.[C:23]([CH3:24])([CH3:25])([CH3:26])[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[CH3:33][S:34](=[O:35])(=[O:36])[OH:37].[OH2:38]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S+:11]([c:13]2[cH:14][cH:15][c:16]([C:19]([CH3:20])([CH3:21])[CH3:22])[cH:17][cH:18]2)[c:30]2[cH:29][cH:28][c:27]([C:23]([CH3:24])([CH3:25])[CH3:26])[cH:32][cH:31]2)[cH:9][cH:10]1.[CH3:33][S:34](=[O:35])(=[O:36])[O-:37]