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

HRID 310938Notes

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

Participants

Reactant 8

HCID 784Hydrogen Peroxide

HCID 8028Tetrahydrofuran

HCID 28486Lithium ion

HCID 672665294-Benzyl-3-{2-[5-(3,5-difluoro-benzyloxy)-4'-trifluoromethyl-biphenyl-3-yl]-4-methyl-pentanoyl}-oxazolidin-2-one

Product 1

HCID 252643572-[3-[(3,5-Difluorophenyl)methoxy]-5-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid

Sources & evidence

ORD record: ord-7d5ff788b33d4234a2f343baecd4b9aa
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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