Ethanol → Methanesulfonic Acid

HRID 138629Notes

Reaction equation

HRID 138629 reaction equation
[CH3:38][CH2:39][OH:40].[CH3:5][S:6](=[O:7])(=[O:8])[O:9][CH2:10][CH2:11][CH2:12][n:13]1[cH:14][c:15]([C:22]2=[C:26]([c:27]3[c:28]([N+:33](=[O:34])[O-:35])[cH:29][cH:30][cH:31][cH:32]3)[C:25](=[O:36])[NH:24][C:23]2=[O:37])[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]12.[NH2:1][C:2]([NH2:3])=[S:4]>>[CH3:5][S:6](=[O:7])(=[O:8])[OH:9].[NH2:1][C:2](=[NH:3])[S:4][CH2:10][CH2:11][CH2:12][n:13]1[cH:14][c:15]([C:22]2=[C:26]([c:27]3[c:28]([N+:33](=[O:34])[O-:35])[cH:29][cH:30][cH:31][cH:32]3)[C:25](=[O:36])[NH:24][C:23]2=[O:37])[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]12

Participants

5

Reactant 3

HCID 702EthanolHCID 2723790ThioureaHCID 18780248HCID 18780248, compound

Product 2

HCID 6395Methanesulfonic AcidHCID 54283072HCID 54283072, compound

Sources & evidence

ORD record
ord-236d8b87542742d0975c0d06d9802475
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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