Methanol → Methanesulfonic Acid

HRID 148361Notes

Reaction equation

HRID 148361 reaction equation
[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:36][S:37]([OH:38])(=[O:39])=[O:40].[CH3:46][C:47]#[N:48].[CH3:49][OH:50].[Cl:1][c:2]1[c:3]([O:23][c:24]2[cH:25][c:26](-[c:30]3[cH:31][n:32][n:33]([CH3:35])[cH:34]3)[n:27][cH:28][cH:29]2)[cH:4][c:5]([F:22])[c:6]([NH:8][C:9](=[O:10])[NH:11][C:12]([CH2:13][c:14]2[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]2)=[O:21])[cH:7]1>>[CH3:36][S:37](=[O:38])(=[O:39])[OH:40].[Cl:1][c:2]1[c:3]([O:23][c:24]2[cH:25][c:26](-[c:30]3[cH:31][n:32][n:33]([CH3:35])[cH:34]3)[n:27][cH:28][cH:29]2)[cH:4][c:5]([F:22])[c:6]([NH:8][C:9](=[O:10])[NH:11][C:12]([CH2:13][c:14]2[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]2)=[O:21])[cH:7]1

Participants

7

Reactant 5

HCID 887MethanolHCID 6342AcetonitrileHCID 6395Methanesulfonic AcidHCID 8028TetrahydrofuranHCID 46209113HCID 46209113, compound

Product 2

HCID 6395Methanesulfonic AcidHCID 46209113HCID 46209113, compound

Sources & evidence

ORD record
ord-b6a1b95218e5403c83aa1cb17cd57631
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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