Methanol → Carbamic acid, [(1S)-2-(3,5-difluorophenyl)-1-(2R)-oxiranylethyl]-,1,1-dimethylethyl ester

HRID 687178Notes

Reaction equation

HRID 687178 reaction equation
[C:1]([O:2][CH2:10][CH:11]([CH:12]([CH2:13][c:14]1[cH:15][c:16]([F:21])[cH:17][c:18]([F:20])[cH:19]1)[NH:22][C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[O:30][S:3]([CH3:4])(=[O:5])=[O:6])(=[O:7])[c:8]1[cH:9][cH:31][cH:32][cH:33][cH:34]1.[CH3:38][OH:39].[Na+:36].[OH-:35].[OH2:37].[OH2:40]>>[CH2:10]1[CH:11]([CH:12]([CH2:13][c:14]2[cH:15][c:16]([F:21])[cH:17][c:18]([F:20])[cH:19]2)[NH:22][C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[O:30]1

Participants

6

Reactant 5

HCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962Water2×HCID 87733154[4-(3,5-Difluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-methylsulfonyloxybutyl] benzoate

Product 1

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

Sources & evidence

ORD record
ord-47e26082a1ed4cb58c920b9e44817e8f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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