Ethanol → Methanesulfonic Acid

HRID 164442Notes

Reaction equation

HRID 164442 reaction equation
[CH3:1][n:2]1[n:3][c:4]([CH3:32])[c:5]([NH:7][C:8]([CH2:9][c:10]2[c:11]([O:29][CH3:30])[cH:12][c:13]([O:16][c:17]3[cH:18][cH:19][n:20][c:21]4[cH:22][c:23]([O:27][CH3:28])[cH:24][cH:25][c:26]34)[cH:14][cH:15]2)=[O:31])[cH:6]1.[CH3:33][CH2:34][OH:35].[CH3:36][S:37]([OH:38])(=[O:39])=[O:40].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46]>>[CH3:1][n:2]1[n:3][c:4]([CH3:32])[c:5]([NH:7][C:8]([CH2:9][c:10]2[c:11]([O:29][CH3:30])[cH:12][c:13]([O:16][c:17]3[cH:18][cH:19][n:20][c:21]4[cH:22][c:23]([O:27][CH3:28])[cH:24][cH:25][c:26]34)[cH:14][cH:15]2)=[O:31])[cH:6]1.[CH3:36][S:37](=[O:38])(=[O:39])[OH:40]

Participants

6

Reactant 4

HCID 702EthanolHCID 6395Methanesulfonic AcidHCID 8857Ethyl AcetateHCID 24759089HCID 24759089, compound

Product 2

HCID 6395Methanesulfonic AcidHCID 24759089HCID 24759089, compound

Sources & evidence

ORD record
ord-b16243a3d84d41cf88a4ca482863ecac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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