Ethanol → Methanesulfonic Acid

HRID 1149895Notes

Reaction equation

HRID 1149895 reaction equation
[CH3:33][S:34]([OH:35])(=[O:36])=[O:37].[CH3:38][CH2:39][OH:40].[CH:1]1([c:7]2[n:8][n:9]([CH3:32])[c:10]3[n:11][c:12](-[c:17]4[c:18]([O:30][CH3:31])[cH:19][c:20]([N:23]5[CH2:24][CH2:25][CH:26]([OH:29])[CH2:27][CH2:28]5)[cH:21][cH:22]4)[nH:13][c:14](=[O:16])[c:15]23)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1>>[CH3:33][S:34](=[O:35])(=[O:36])[OH:37].[CH:1]1([c:7]2[n:8][n:9]([CH3:32])[c:10]3[n:11][c:12](-[c:17]4[c:18]([O:30][CH3:31])[cH:19][c:20]([N:23]5[CH2:24][CH2:25][CH:26]([OH:29])[CH2:27][CH2:28]5)[cH:21][cH:22]4)[nH:13][c:14](=[O:16])[c:15]23)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

5

Reactant 3

HCID 702EthanolHCID 6395Methanesulfonic AcidHCID 136005817HCID 136005817, compound

Product 2

HCID 6395Methanesulfonic AcidHCID 136005817HCID 136005817, compound

Sources & evidence

ORD record
ord-5c2e00a428624b34bcdf56d5e6d90e74
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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