Bromide ion → 3-Oxo-azetidine-1-carboxylic acid tert-butyl ester

HRID 1121591Notes

Reaction equation

HRID 1121591 reaction equation
[Br-:25].[C:26](=[O:27])([OH:28])[O-:29].[CH3:13][C:14]1([CH3:23])[N:15]([O:16])[C:17]([CH3:18])([CH3:19])[CH2:20][CH2:21][CH2:22]1.[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[Cl:31][O-:32].[K+:24].[Na+:30].[Na+:33].[OH2:40].[OH:1][CH:2]1[CH2:3][N:4]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[CH2:5]1>>[O:1]=[C:2]1[CH2:3][N:4]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[CH2:5]1

Participants

10

Reactant 9

HCID 259Bromide ionHCID 769Bicarbonate IonHCID 813Potassium CationHCID 923Sodium ion2×HCID 962WaterHCID 8857Ethyl AcetateHCID 61739HypochloriteHCID 5499762,2,6,6-Tetramethylpiperidin-1-olHCID 2756801Tert-butyl 3-hydroxyazetidine-1-carboxylate

Product 1

HCID 15194043-Oxo-azetidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-2a0edb1a61624766b932184adcb3c41b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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