Acetic Acid → 6-Ethoxy-3,4-difluoronaphthalen-2-ol

HRID 321021Notes

Reaction equation

HRID 321021 reaction equation
[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][cH:6][c:7]2[cH:8][cH:9][c:10]([F:15])[c:11]([F:14])[c:12]2[cH:13]1.[CH2:30]1[O:31][CH2:32][CH2:33][CH2:34]1.[CH3:16][CH2:17][CH2:18][CH2:19][Li:20].[CH3:21][O:22][B:23]([O:24][CH3:25])[O:26][CH3:27].[CH3:43][C:44](=[O:45])[OH:46].[Fe+2:40].[NH4+:41].[OH2:42].[OH:28][OH:29].[S:35]([O-:36])([O-:37])(=[O:38])=[O:39]>>[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][cH:6][c:7]2[cH:8][c:9]([OH:22])[c:10]([F:15])[c:11]([F:14])[c:12]2[cH:13]1

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 223AmmoniumHCID 784Hydrogen PeroxideHCID 962WaterHCID 1117Sulfate IonHCID 8028TetrahydrofuranHCID 8470Trimethyl borateHCID 27284Ferrous cationHCID 581519037-Ethoxy-1,2-difluoronaphthaleneHCID 178418339Butyllithium

Product 1

HCID 581519196-Ethoxy-3,4-difluoronaphthalen-2-ol

Sources & evidence

ORD record
ord-7f3b801e9b744068a7d8af43a9a2144b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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