Isopropanol → Methanesulfonic Acid

HRID 119725Notes

Reaction equation

HRID 119725 reaction equation
[CH3:29][S:30]([OH:31])(=[O:32])=[O:33].[CH:34]([OH:35])([CH3:36])[CH3:37].[Cl:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][c:11]1[CH2:12][CH2:13][N:14]1[CH2:15][CH2:16][N:17]([c:20]3[n:21][s:22][c:23]4[cH:24][cH:25][cH:26][cH:27][c:28]34)[CH2:18][CH2:19]1)[CH2:8][C:6](=[O:7])[NH:5]2>>[CH3:29][S:30](=[O:31])(=[O:32])[OH:33].[Cl:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][c:11]1[CH2:12][CH2:13][N:14]1[CH2:15][CH2:16][N:17]([c:20]3[n:21][s:22][c:23]4[cH:24][cH:25][cH:26][cH:27][c:28]34)[CH2:18][CH2:19]1)[CH2:8][C:6](=[O:7])[NH:5]2

Participants

5

Reactant 3

HCID 3776IsopropanolHCID 6395Methanesulfonic AcidHCID 60854Ziprasidone

Product 2

HCID 6395Methanesulfonic AcidHCID 60854Ziprasidone

Sources & evidence

ORD record
ord-7178fd30ec984d62809e0e9f91393040
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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