Water → Methanesulfonate

HRID 2137869Notes

Reaction equation

HRID 2137869 reaction equation
[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]

Participants

6

Reactant 4

HCID 962WaterHCID 6395Methanesulfonic AcidHCID 7366Tert-ButylbenzeneHCID 184321184,4'-Sulfinylbis(tert-butylbenzene)

Product 2

HCID 85257MethanesulfonateHCID 5051737Tris[4-(1,1-dimethylethyl)phenyl]sulfonium

Sources & evidence

ORD record
ord-36cc5cb433a84e19a4b74b99c7b1cad9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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