Methanesulfonic Acid → Methanesulfonic Acid

HRID 702628Notes

Reaction equation

HRID 702628 reaction equation
[CH3:39][S:40]([OH:41])(=[O:42])=[O:43].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[Cl:1][c:2]1[cH:3][c:4]([NH:19][c:20]2[c:21]3[c:22]([n:23][cH:24][n:25]2)[cH:26][cH:27][n:28]3[CH2:29][CH2:30][NH:31][C:32]([CH2:33][C:34]([CH3:35])([CH3:36])[OH:37])=[O:38])[cH:5][cH:6][c:7]1[O:8][c:9]1[cH:10][c:11]([C:15]([F:16])([F:17])[F:18])[cH:12][cH:13][cH:14]1>>[CH3:39][S:40](=[O:41])(=[O:42])[OH:43].[Cl:1][c:2]1[cH:3][c:4]([NH:19][c:20]2[c:21]3[c:22]([n:23][cH:24][n:25]2)[cH:26][cH:27][n:28]3[CH2:29][CH2:30][NH:31][C:32]([CH2:33][C:34]([CH3:35])([CH3:36])[OH:37])=[O:38])[cH:5][cH:6][c:7]1[O:8][c:9]1[cH:10][c:11]([C:15]([F:16])([F:17])[F:18])[cH:12][cH:13][cH:14]1

Participants

5

Reactant 3

HCID 6395Methanesulfonic AcidHCID 8857Ethyl AcetateHCID 11620908Tak-285

Product 2

HCID 6395Methanesulfonic AcidHCID 11620908Tak-285

Sources & evidence

ORD record
ord-0d621d944c574b6e992cec5fd226993e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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