Citric Acid → tert-Butyl (1-(oxiran-2-yl)-2-phenylethyl)carbamate

HRID 1149416Notes

Reaction equation

HRID 1149416 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH:10]([CH2:11][Cl:12])[OH:13])[CH2:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[C:21](=[O:22])([O-:23])[O-:24].[CH2:41]([OH:42])[CH3:43].[K+:25].[K+:26].[OH2:40].[OH:27][C:28]([CH2:29][C:30]([C:31](=[O:32])[OH:33])([CH2:34][C:35](=[O:36])[OH:37])[OH:38])=[O:39]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH:10]1[CH2:11][O:13]1)[CH2:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1

Participants

7

Reactant 6

HCID 311Citric AcidHCID 702EthanolHCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 4712659(2R,3S)-3-(Tert-butoxycarbonylamino)-1-chloro-2-hydroxy-4-phenylbutane

Product 1

HCID 4571240tert-Butyl (1-(oxiran-2-yl)-2-phenylethyl)carbamate

Sources & evidence

ORD record
ord-d4e181be67fb48a49af7c00be7ca951c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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