Water → Methanesulfonic Acid

HRID 1115304Notes

Reaction equation

HRID 1115304 reaction equation
[CH3:24][S:25]([Cl:26])(=[O:27])=[O:28].[CH:15]([N:16]([CH:17]([CH3:18])[CH3:19])[CH2:20][CH3:21])([CH3:22])[CH3:23].[Cl:30][CH2:31][Cl:32].[O:1]1[CH2:2][CH2:3][N:4]([CH2:7][CH:8]2[CH2:9][C:10]([CH2:13][OH:14])=[N:11][O:12]2)[CH2:5][CH2:6]1.[OH2:29]>>[CH3:24][S:25](=[O:27])([OH:28])=[O:29].[O:1]1[CH2:2][CH2:3][N:4]([CH2:7][CH:8]2[CH2:9][C:10]([CH2:13][OH:14])=[N:11][O:12]2)[CH2:5][CH2:6]1

Participants

7

Reactant 5

HCID 962WaterHCID 6344DichloromethaneHCID 31297Methanesulfonyl chlorideHCID 81531DiisopropylethylamineHCID 21978759[5-(Morpholin-4-ylmethyl)-4,5-dihydro-isoxazol-3-yl]methanol

Product 2

HCID 6395Methanesulfonic AcidHCID 21978759[5-(Morpholin-4-ylmethyl)-4,5-dihydro-isoxazol-3-yl]methanol

Sources & evidence

ORD record
ord-503d4ea920ab4f2195e2d8386d0900a4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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