Water → Methanesulfonic Acid

HRID 2331497Notes

Reaction equation

HRID 2331497 reaction equation
[CH3:1][S:2]([OH:3])(=[O:4])=[O:5].[CH:39]([OH:40])([CH3:41])[CH3:42].[Cl:6][c:7]1[c:8]([F:37])[c:9]([NH:10][c:11]2[n:12][cH:13][n:14][c:15]3[cH:16][c:17]([O:32][CH3:33])[c:18]([O:21][CH:22]4[CH2:23][CH2:24][N:25]([C:28]([CH2:29][OH:30])=[O:31])[CH2:26][CH2:27]4)[cH:19][c:20]23)[cH:34][cH:35][cH:36]1.[OH2:38]>>[CH3:1][S:2](=[O:3])(=[O:4])[OH:5].[Cl:6][c:7]1[c:8]([F:37])[c:9]([NH:10][c:11]2[n:12][cH:13][n:14][c:15]3[cH:16][c:17]([O:32][CH3:33])[c:18]([O:21][CH:22]4[CH2:23][CH2:24][N:25]([C:28]([CH2:29][OH:30])=[O:31])[CH2:26][CH2:27]4)[cH:19][c:20]23)[cH:34][cH:35][cH:36]1

Participants

6

Reactant 4

HCID 962WaterHCID 3776IsopropanolHCID 6395Methanesulfonic AcidHCID 11213353HCID 11213353, compound

Product 2

HCID 6395Methanesulfonic AcidHCID 11213353HCID 11213353, compound

Sources & evidence

ORD record
ord-9c20e4c51e5c47d4a016dc7c9de8a7e8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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