Acetone → p-Toluenesulfonate

HRID 1127260Notes

Reaction equation

HRID 1127260 reaction equation
[CH3:53][C:54](=[O:55])[CH3:56].[OH2:41].[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:42]1([CH3:52])[cH:43][cH:44][c:45]([S:48](=[O:49])(=[O:50])[OH:51])[cH:46][cH:47]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:42]1([CH3:52])[cH:43][cH:44][c:45]([S:48](=[O:49])(=[O:50])[O-:51])[cH:46][cH:47]1

Participants

6

Reactant 4

HCID 180AcetoneHCID 962WaterHCID 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-9a619ee188174359a0ffd35247db2964
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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