Methanol → Methanesulfonic Acid

HRID 681607Notes

Reaction equation

HRID 681607 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:17][C:18](=[O:19])[NH:20][c:21]2[c:22]([CH3:43])[n:23][c:24]([N:27]3[CH2:28][CH2:29][N:30]([C:33]([c:34]4[c:35]([F:41])[cH:36][cH:37][cH:38][c:39]4[F:40])=[O:42])[CH2:31][CH2:32]3)[cH:25][cH:26]2)[n:8](-[c:10]2[cH:11][cH:12][c:13]([CH3:16])[cH:14][cH:15]2)[n:9]1.[CH3:44][OH:45].[CH3:46][S:47]([OH:48])(=[O:49])=[O:50].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:17][C:18](=[O:19])[NH:20][c:21]2[c:22]([CH3:43])[n:23][c:24]([N:27]3[CH2:28][CH2:29][N:30]([C:33]([c:34]4[c:35]([F:41])[cH:36][cH:37][cH:38][c:39]4[F:40])=[O:42])[CH2:31][CH2:32]3)[cH:25][cH:26]2)[n:8](-[c:10]2[cH:11][cH:12][c:13]([CH3:16])[cH:14][cH:15]2)[n:9]1.[CH3:46][S:47](=[O:48])(=[O:49])[OH:50]

Participants

6

Reactant 4

HCID 887MethanolHCID 6395Methanesulfonic AcidHCID 8857Ethyl AcetateHCID 16061458HCID 16061458, compound

Product 2

HCID 6395Methanesulfonic AcidHCID 16061458HCID 16061458, compound

Sources & evidence

ORD record
ord-7438a5f48a7e4f47a07c0df5ca7cc1e7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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