Acetic Acid → 5-Ethyl-2-fluorophenol

HRID 2321464Notes

Reaction equation

HRID 2321464 reaction equation
[CH2:1]([CH3:2])[c:3]1[cH:4][cH:5][c:6]([F:9])[cH:7][cH:8]1.[CH2:30]1[O:31][CH2:32][CH2:33][CH2:34]1.[CH3:15][O:16][B:17]([O:18][CH3:19])[O:20][CH3:21].[CH3:35][CH2:36][O:37][CH2:38][CH3:39].[CH3:40][C:41](=[O:42])[OH:43].[CH:10]([Li:11])([CH2:12][CH3:13])[CH3:14].[Na+:28].[Na+:29].[OH:22][OH:23].[S:24]([O-:25])([O-:26])=[O:27]>>[CH2:1]([CH3:2])[c:3]1[cH:4][cH:5][c:6]([F:9])[c:7]([OH:16])[cH:8]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 784Hydrogen PeroxideHCID 923Sodium ion2×HCID 1099SulfiteHCID 3283Diethyl EtherHCID 8028TetrahydrofuranHCID 8470Trimethyl borateHCID 1363031-Ethyl-4-fluorobenzeneHCID 178418400CID 53628100

Product 1

HCID 187116495-Ethyl-2-fluorophenol

Sources & evidence

ORD record
ord-2b2c815e666b4008bc673cc96ed38863
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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