Acetone → p-Toluenesulfonate

HRID 175719Notes

Reaction equation

HRID 175719 reaction equation
[CH3:52][C:53](=[O:54])[CH3:55].[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[C:34](=[O:35])[O:36][CH2:37][CH3:38])[C:25]([CH3:27])([CH3:28])[S:26]3)[C:39]2=[O:40])[cH:15][cH:16][cH:17][cH:18][cH:19]1.[c:41]1([CH3:51])[cH:42][cH:43][c:44]([S:47](=[O:48])(=[O:49])[OH:50])[cH:45][cH:46]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[C:34](=[O:35])[O:36][CH2:37][CH3:38])[C:25]([CH3:27])([CH3:28])[S:26]2)[C:39]1=[O:40].[c:41]1([CH3:51])[cH:42][cH:43][c:44]([S:47](=[O:48])(=[O:49])[O-:50])[cH:45][cH:46]1

Participants

5

Reactant 3

HCID 180AcetoneHCID 6101p-Toluenesulfonic acidHCID 20381256Ethyl 5-[3,3-dimethyl-7-oxo-6-(tritylamino)-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]tetrazole-1-carboxylate

Product 2

HCID 85570p-ToluenesulfonateHCID 20381516Ethyl 5-(6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-yl)tetrazole-1-carboxylate

Sources & evidence

ORD record
ord-d7dc53d21557417a87b817506d89e528
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…