Acetone → tert-Butyl 6-oxo-1,4-thiazepane-4-carboxylate 1,1-dioxide

HRID 98113Notes

Reaction equation

HRID 98113 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][S:11](=[O:16])(=[O:17])[CH2:12][CH:13]([OH:15])[CH2:14]1.[CH3:18][OH:19].[CH3:20][C:21](=[O:22])[CH3:23]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][S:11](=[O:16])(=[O:17])[CH2:12][C:13](=[O:15])[CH2:14]1

Participants

4

Reactant 3

HCID 180AcetoneHCID 887MethanolHCID 19980857tert-Butyl 6-hydroxy-1,4-thiazepane-4-carboxylate 1,1-dioxide

Product 1

HCID 19980844tert-Butyl 6-oxo-1,4-thiazepane-4-carboxylate 1,1-dioxide

Sources & evidence

ORD record
ord-124d24e8afa442d6a8d58df5cd965bb7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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