Potassium Cation → 4-(2,2-Dimethyl-4-oxo-4H-benzo[1,3]dioxin-7-yloxy)-3,5-difluoro-benzaldehyde

HRID 87257Notes

Reaction equation

[C:26](=[O:27])([O-:28])[O-:29].[CH3:33][N:34]([CH3:35])[CH:36]=[O:37].[F:15][c:16]1[cH:17][c:18]([CH:19]=[O:20])[cH:21][c:22]([F:25])[c:23]1[F:24].[K+:30].[K+:31].[OH2:32].[OH:1][c:2]1[cH:3][c:4]2[c:5]([cH:13][cH:14]1)[C:6](=[O:12])[O:7][C:8]([CH3:10])([CH3:11])[O:9]2>>[O:1]([c:2]1[cH:3][c:4]2[c:5]([cH:13][cH:14]1)[C:6](=[O:12])[O:7][C:8]([CH3:10])([CH3:11])[O:9]2)[c:23]1[c:16]([F:15])[cH:17][c:18]([CH:19]=[O:20])[cH:21][c:22]1[F:25]

Participants

Reactant 6

HCID 813Potassium Cation2×

HCID 962Water

HCID 6228Dimethylformamide

HCID 19660Carbonate Ion

HCID 27769543,4,5-Trifluorobenzaldehyde

HCID 105839507-hydroxy-2,2-dimethyl-4H-benzo[d][1,3]dioxin-4-one

Product 1

HCID 579390244-(2,2-Dimethyl-4-oxo-4H-benzo[1,3]dioxin-7-yloxy)-3,5-difluoro-benzaldehyde

Sources & evidence

ORD record: ord-a6d58da624224210991388de2cbe1d73
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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