2-Acetylhydroquinone → 2-(2,4-Difluorophenyl)-6-hydroxychroman-4-one

HRID 300946Notes

Reaction equation

HRID 300946 reaction equation
[F:1][c:2]1[cH:3][c:4]([CH:5]2[CH2:6][C:7](=[O:8])[c:9]3[c:10]([cH:11][cH:12][c:13]([OH:14])[cH:15]3)[O:16]2)[cH:17][cH:18][cH:19]1.[F:31][c:32]1[c:33]([CH:34]=[O:35])[cH:36][cH:37][c:38]([F:40])[cH:39]1.[OH:20][c:21]1[c:22]([C:28]([CH3:29])=[O:30])[cH:23][c:24]([OH:27])[cH:25][cH:26]1>>[O:20]1[c:21]2[c:22]([cH:23][c:24]([OH:27])[cH:25][cH:26]2)[C:28](=[O:30])[CH2:29][CH:34]1[c:33]1[c:32]([F:31])[cH:39][c:38]([F:40])[cH:37][cH:36]1

Participants

4

Reactant 3

HCID 102792-AcetylhydroquinoneHCID 737702,4-DifluorobenzaldehydeHCID 179784652-(3-Fluorophenyl)-6-hydroxychroman-4-one

Product 1

HCID 179784512-(2,4-Difluorophenyl)-6-hydroxychroman-4-one

Sources & evidence

ORD record
ord-f098cbbb232a40718ce17a2496ad3a4d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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