Water → p-Toluenesulfonate

HRID 312763Notes

Reaction equation

HRID 312763 reaction equation
[Br:15][c:16]1[cH:17][cH:18][c:19]([CH2:20][Br:21])[cH:22][cH:23]1.[C:24](=[O:25])([O-:26])[O-:27].[C:48]([O:49][CH2:50][CH2:51][CH2:52][CH3:53])(=[O:54])[CH3:55].[CH2:1]([CH2:2][CH3:3])[c:4]1[nH:5][c:6]([CH2:11][C:12](=[O:13])[OH:14])[c:7]([CH2:9][CH3:10])[n:8]1.[CH3:42][N:43]([CH3:44])[C:45](=[O:46])[CH3:47].[Cs+:28].[Cs+:29].[OH2:30].[OH2:56].[c:31]1([CH3:41])[cH:32][cH:33][c:34]([S:37](=[O:38])(=[O:39])[OH:40])[cH:35][cH:36]1>>[CH2:1]([CH2:2][CH3:3])[c:4]1[n:5]([CH2:20][c:19]2[cH:18][cH:17][c:16]([Br:15])[cH:23][cH:22]2)[c:6]([CH2:11][C:12](=[O:13])[OH:14])[c:7]([CH2:9][CH3:10])[n:8]1.[c:31]1([CH3:41])[cH:32][cH:33][c:34]([S:37](=[O:38])(=[O:39])[O-:40])[cH:35][cH:36]1

Participants

10

Reactant 8

HCID 962Water2×HCID 6101p-Toluenesulfonic acidHCID 19660Carbonate IonHCID 31272Butyl AcetateHCID 31374DimethylacetamideHCID 685274-Bromobenzyl bromideHCID 104967Cesium cation2×HCID 22407615HCID 22407615, compound

Product 2

HCID 85570p-ToluenesulfonateHCID 57166995HCID 57166995, compound

Sources & evidence

ORD record
ord-1f735ac79dd945d2813f9f1531b78956
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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