Bromide ion → [2-(2,2,2-Trifluoroethoxy)-phenoxy]-acetaldehyde

HRID 101839

Reaction equation

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

Participants

Reactant 8

HCID 259Bromide ion

HCID 769Bicarbonate Ion

HCID 813Potassium Cation

HCID 923Sodium ion2×

HCID 6344Dichloromethane

HCID 61739Hypochlorite

HCID 5499762,2,6,6-Tetramethylpiperidin-1-ol

HCID 107761632-[2-(2,2,2-Trifluoroethoxy)phenoxy]ethanol

Product 1

HCID 51029556[2-(2,2,2-Trifluoroethoxy)-phenoxy]-acetaldehyde

Sources & evidence

ORD record: ord-595fd10607e540898565c7cb10784ec0
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Linked notes

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