Acetone → p-Toluenesulfonate

HRID 282538Notes

Reaction equation

HRID 282538 reaction equation
[CH3:54][C:55](=[O:56])[CH3:57].[OH2:42].[c:1]1([C:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[NH:20][CH:21]2[CH:22]3[N:23]([CH:24]([c:29]4[n:30][n:31][n:32][n:33]4[CH2:34][c:35]4[cH:36][cH:37][cH:38][o:39]4)[C:25]([CH3:27])([CH3:28])[S:26]3)[C:40]2=[O:41])[cH:15][cH:16][cH:17][cH:18][cH:19]1.[c:43]1([CH3:53])[cH:44][cH:45][c:46]([S:49](=[O:50])(=[O:51])[OH:52])[cH:47][cH:48]1>>[NH2:20][CH:21]1[CH:22]2[N:23]([CH:24]([c:29]3[n:30][n:31][n:32][n:33]3[CH2:34][c:35]3[cH:36][cH:37][cH:38][o:39]3)[C:25]([CH3:27])([CH3:28])[S:26]2)[C:40]1=[O:41].[c:43]1([CH3:53])[cH:44][cH:45][c:46]([S:49](=[O:50])(=[O:51])[O-:52])[cH:47][cH:48]1

Participants

6

Reactant 4

HCID 180AcetoneHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 20381350HCID 20381350, compound

Product 2

HCID 85570p-ToluenesulfonateHCID 20381280HCID 20381280, compound

Sources & evidence

ORD record
ord-ff9acd27ce7645d99df0897b38f4dfb6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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