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

HRID 152885Notes

Reaction equation

HRID 152885 reaction equation
[C:5]([CH3:6])([CH3:7])([CH3:8])[O:9][C:10](=[O:11])[NH:12][CH:13]([CH:14]([CH2:15][Cl:16])[OH:17])[CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1.[CH3:1][CH:2]([OH:3])[CH3:4].[Na+:26].[OH-:25].[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:5]([CH3:6])([CH3:7])([CH3:8])[O:9][C:10](=[O:11])[NH:12][CH:13]([CH:14]1[CH2:15][O:17]1)[CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1

Participants

7

Reactant 6

HCID 311Citric AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 3776IsopropanolHCID 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-91830cf7ec2649db981e4803e834550c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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