Acetonitrile → Methanesulfonic Acid

HRID 164396Notes

Reaction equation

HRID 164396 reaction equation
[CH3:32][S:33]([OH:34])(=[O:35])=[O:36].[CH3:37][C:38]#[N:39].[Cl:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][c:7]([C:12](=[O:13])[CH:14]3[CH2:15][CH2:16][N:17]([CH2:20][CH2:21][CH2:22][C:23](=[O:24])[c:25]4[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]4)[CH2:18][CH2:19]3)[cH:8][c:9]2[cH:10][cH:11]1>>[CH3:32][S:33](=[O:34])(=[O:35])[OH:36].[Cl:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][c:7]([C:12](=[O:13])[CH:14]3[CH2:15][CH2:16][N:17]([CH2:20][CH2:21][CH2:22][C:23](=[O:24])[c:25]4[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]4)[CH2:18][CH2:19]3)[cH:8][c:9]2[cH:10][cH:11]1

Participants

5

Reactant 3

HCID 6342AcetonitrileHCID 6395Methanesulfonic AcidHCID 202956124-[4-(6-Chloro-2-naphthoyl)-1-piperidyl]-1-(4-fluorophenyl)-1-butanone

Product 2

HCID 6395Methanesulfonic AcidHCID 202956124-[4-(6-Chloro-2-naphthoyl)-1-piperidyl]-1-(4-fluorophenyl)-1-butanone

Sources & evidence

ORD record
ord-c34eeb3e50774dfab9de3956d9a8b369
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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