Hydrogen Peroxide → 2-[3-[[4-Fluoro-2-(trifluoromethyl)phenyl]methoxy]-5-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid

HRID 176780Notes

Reaction equation

[CH2:1]([CH:2]1[CH2:3][O:4][C:5](=[O:6])[N:7]1[C:14]([CH:15]([CH2:16][CH:17]([CH3:18])[CH3:19])[c:20]1[cH:21][c:22](-[c:39]2[cH:40][cH:41][c:42]([C:45]([F:46])([F:47])[F:48])[cH:43][cH:44]2)[cH:23][c:24]([O:26][CH2:27][c:28]2[c:29]([C:35]([F:36])([F:37])[F:38])[cH:30][c:31]([F:34])[cH:32][cH:33]2)[cH:25]1)=[O:49])[c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1.[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]1.[Li+:51].[Na+:59].[Na+:60].[OH-:50].[OH2:52].[OH2:66].[OH:53][OH:54].[S:55](=[O:56])([O-:57])[O-:58]>>[C:14]([CH:15]([CH2:16][CH:17]([CH3:18])[CH3:19])[c:20]1[cH:21][c:22](-[c:39]2[cH:40][cH:41][c:42]([C:45]([F:46])([F:47])[F:48])[cH:43][cH:44]2)[cH:23][c:24]([O:26][CH2:27][c:28]2[c:29]([C:35]([F:36])([F:37])[F:38])[cH:30][c:31]([F:34])[cH:32][cH:33]2)[cH:25]1)(=[O:49])[OH:56]

Participants

Reactant 8

HCID 784Hydrogen Peroxide

HCID 8028Tetrahydrofuran

HCID 28486Lithium ion

HCID 765878014-Benzyl-3-{2-[5-(4-fluoro-2-trifluoromethyl-benzyloxy)-4'-trifluoromethyl-biphenyl-3-yl]-4-methyl-pentanoyl}-oxazolidin-2-one

Product 1

HCID 576673112-[3-[[4-Fluoro-2-(trifluoromethyl)phenyl]methoxy]-5-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid

Sources & evidence

ORD record: ord-072d0cf1c84e4cc7a1a9970cbf334b24
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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