Acetone → 2,2-Dimethyl-6-[3-(2-methyl-imidazol-1-yl)-phenyl]-[1,3]dioxin-4-one

HRID 121970Notes

Reaction equation

HRID 121970 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][C:8](=[O:9])[c:10]1[cH:11][c:12](-[n:16]2[c:17]([CH3:21])[n:18][cH:19][cH:20]2)[cH:13][cH:14][cH:15]1)=[O:22].[CH3:43][C:44](=[O:45])[CH3:46].[F:23][C:24]([F:25])([F:26])[C:27]([O:28][C:29](=[O:30])[C:31]([F:32])([F:33])[F:34])=[O:35].[F:36][C:37]([F:38])([F:39])[C:40]([OH:41])=[O:42]>>[C:1]1([CH3:2])([CH3:3])[O:5][C:6](=[O:22])[CH:7]=[C:8]([c:10]2[cH:11][c:12](-[n:16]3[c:17]([CH3:21])[n:18][cH:19][cH:20]3)[cH:13][cH:14][cH:15]2)[O:9]1

Participants

5

Reactant 4

HCID 180AcetoneHCID 6422Trifluoroacetic acidHCID 9845Trifluoroacetic anhydrideHCID 695927863-[3-(2-Methyl-imidazol-1-yl)-phenyl]-3-oxo-propionic acid tert.-butyl ester

Product 1

HCID 222247902,2-Dimethyl-6-[3-(2-methyl-imidazol-1-yl)-phenyl]-[1,3]dioxin-4-one

Sources & evidence

ORD record
ord-3b9bf8ddff684c9682f53e3a9b59cde5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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