Isopropanol → [1-(3,5-Difluoro-benzyl)-2-hydroxy-3-(1-isobutylcarbamoyl-ethylamino)-propyl]-carbamic Acid Tert-Butyl Ester

HRID 2349243Notes

Reaction equation

HRID 2349243 reaction equation
[CH2:1]([CH:2]([CH3:3])[CH3:4])[NH:5][C:6]([CH:7]([NH2:8])[CH3:9])=[O:10].[CH:32]([OH:33])([CH3:34])[CH3:35].[F:11][c:12]1[cH:13][c:14]([CH2:19][CH:20]([CH:21]2[O:22][CH2:23]2)[NH:24][C:25]([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[cH:15][c:16]([F:18])[cH:17]1>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[NH:5][C:6]([CH:7]([NH:8][CH2:23][CH:21]([CH:20]([CH2:19][c:14]1[cH:13][c:12]([F:11])[cH:17][c:16]([F:18])[cH:15]1)[NH:24][C:25]([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[OH:22])[CH3:9])=[O:10]

Participants

4

Reactant 3

HCID 3776IsopropanolHCID 13750005HCID 13750005, compoundHCID 20726936Carbamic acid, [(1S)-2-(3,5-difluorophenyl)-1-(2R)-oxiranylethyl]-,1,1-dimethylethyl ester

Product 1

HCID 21087184[1-(3,5-Difluoro-benzyl)-2-hydroxy-3-(1-isobutylcarbamoyl-ethylamino)-propyl]-carbamic Acid Tert-Butyl Ester

Sources & evidence

ORD record
ord-02f4301e83f14c11b2474edf843031c8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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