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Bicarbonate Ion → 2-[2-(5-Fluoro-2-methoxyphenyl)-2-methylpropyl]-2-trifluoromethyloxirane

HRID 283603
Notes
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Reaction equation

HRID 283603 reaction equation
[B-:29]([F:30])([F:31])([F:32])[F:33].[C:38](=[O:39])([O-:40])[O-:41].[C:44](=[O:45])([OH:46])[O-:47].[CH3:34][O+:35]([CH3:36])[CH3:37].[Cl:49][CH2:50][Cl:51].[F:1][C:2]([C:3]([CH2:4][C:5]([CH3:6])([CH3:7])[c:8]1[c:9]([O:15][CH3:16])[cH:10][cH:11][c:12]([F:14])[cH:13]1)([OH:17])[CH2:18][S:19][c:20]1[cH:21][cH:22][c:23]([CH3:24])[cH:25][cH:26]1)([F:27])[F:28].[K+:42].[K+:43].[Na+:48].[OH2:52]>>[F:1][C:2]([C:3]1([CH2:4][C:5]([CH3:6])([CH3:7])[c:8]2[c:9]([O:15][CH3:16])[cH:10][cH:11][c:12]([F:14])[cH:13]2)[O:17][CH2:18]1)([F:27])[F:28]
ParticipantsSources & evidenceReaction notes

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 813Potassium Cation2×HCID 923Sodium IonHCID 962WaterHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 26255Tetrafluoroborate
HCID 93245
Trimethyloxonium
HCID 694158091,1,1-Trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(4-methylphenyl)sulfanylmethyl]pentan-2-ol

Product 1

HCID 160992392-[2-(5-Fluoro-2-methoxyphenyl)-2-methylpropyl]-2-trifluoromethyloxirane

Sources & evidence

ORD record
ord-7b2cd8ec85354aa5a01d35da394223c5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes