Methanol → Methanesulfonic Acid

HRID 284683Notes

Reaction equation

HRID 284683 reaction equation
[CH3:39][S:40]([OH:41])(=[O:42])=[O:43].[CH3:48][OH:49].[CH:44]([OH:45])([CH3:46])[CH3:47].[n:1]1[cH:2][c:3]([C:10]2=[C:11]([C:17]3=[N:18][CH2:19][CH2:20][N:21]4[c:22]5[c:23]3[cH:24][c:25]([F:38])[cH:26][c:27]5[CH2:28][CH:29]4[C:30](=[O:31])[N:32]3[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]3)[C:12](=[O:16])[NH:13][C:14]2=[O:15])[n:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[CH3:39][S:40](=[O:41])(=[O:42])[OH:43].[n:1]1[cH:2][c:3]([C:10]2=[C:11]([C:17]3=[N:18][CH2:19][CH2:20][N:21]4[c:22]5[c:23]3[cH:24][c:25]([F:38])[cH:26][c:27]5[CH2:28][CH:29]4[C:30](=[O:31])[N:32]3[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]3)[C:12](=[O:16])[NH:13][C:14]2=[O:15])[n:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2

Participants

6

Reactant 4

HCID 887MethanolHCID 3776IsopropanolHCID 6395Methanesulfonic AcidHCID 66751758HCID 66751758, compound

Product 2

HCID 6395Methanesulfonic AcidHCID 66751758HCID 66751758, compound

Sources & evidence

ORD record
ord-996560cd18b249f1a6fc010417836cce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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