Potassium Cation → p-Toluenesulfonate

HRID 677491Notes

Reaction equation

HRID 677491 reaction equation
[Br:13][c:14]1[cH:15][cH:16][c:17]([CH2:18][Br:19])[cH:20][cH:21]1.[C:22](=[O:23])([O-:24])[O-:25].[CH2:1]([CH2:2][CH3:3])[c:4]1[nH:5][c:6]([CH:11]=[O:12])[c:7]([CH2:9][CH3:10])[n:8]1.[CH2:46]([C:47]([CH3:48])=[O:49])[CH:50]([CH3:51])[CH3:52].[CH3:40][N:41]([CH3:42])[C:43](=[O:44])[CH3:45].[K+:26].[K+:27].[OH2:28].[OH2:53].[c:29]1([CH3:39])[cH:30][cH:31][c:32]([S:35](=[O:36])(=[O:37])[OH:38])[cH:33][cH:34]1>>[CH2:1]([CH2:2][CH3:3])[c:4]1[n:5]([CH2:18][c:17]2[cH:16][cH:15][c:14]([Br:13])[cH:21][cH:20]2)[c:6]([CH:11]=[O:12])[c:7]([CH2:9][CH3:10])[n:8]1.[c:29]1([CH3:39])[cH:30][cH:31][c:32]([S:35](=[O:36])(=[O:37])[O-:38])[cH:33][cH:34]1

Participants

10

Reactant 8

HCID 813Potassium Cation2×HCID 962Water2×HCID 6101p-Toluenesulfonic acidHCID 7909Methyl Isobutyl KetoneHCID 19660Carbonate IonHCID 31374DimethylacetamideHCID 685274-Bromobenzyl bromideHCID 178440054HCID 178440054, compound

Product 2

HCID 85570p-ToluenesulfonateHCID 15343994HCID 15343994, compound

Sources & evidence

ORD record
ord-62ca490f90c14d3385ff4290ed4b9f32
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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