Acetone → p-Toluenesulfonate

HRID 1114156Notes

Reaction equation

HRID 1114156 reaction equation
[CH2:35]1[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]1.[CH3:12][n+:13]1[cH:14][cH:15][c:16]([CH3:19])[cH:17][cH:18]1.[CH3:20][O:21][CH:22]([CH2:23][O:24][c:25]1[cH:26][cH:27][c:28]([CH:29]=[O:30])[cH:31][cH:32]1)[O:33][CH3:34].[CH3:41][C:42](=[O:43])[CH3:44].[CH3:45][CH2:46][OH:47].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[c:1]1([CH3:11])[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[O-:10])[cH:5][cH:6]1>>[CH3:12][n+:13]1[cH:14][cH:15][c:16]([CH:19]=[CH:29][c:28]2[cH:27][cH:26][c:25]([O:24][CH2:23][CH:22]([O:21][CH3:20])[O:33][CH3:34])[cH:32][cH:31]2)[cH:17][cH:18]1.[c:1]1([CH3:11])[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[O-:10])[cH:5][cH:6]1

Participants

9

Reactant 7

HCID 180AcetoneHCID 702EthanolHCID 8082PiperidineHCID 8857Ethyl AcetateHCID 85570p-ToluenesulfonateHCID 2006041,4-dimethylpyridiniumHCID 20572032p-(2,2-Dimethoxyethoxy)benzaldehyde

Product 2

HCID 85570p-ToluenesulfonateHCID 54306410HCID 54306410, compound

Sources & evidence

ORD record
ord-1f2ab47483fb4d3283dfc9aefc3c564e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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