Acetone → 5-Methyl-3-(4-nitrophenoxymethyl)isoxazole

HRID 97528Notes

Reaction equation

HRID 97528 reaction equation
[Br:17][CH2:18][c:19]1[n:20][o:21][c:22]([CH3:24])[cH:23]1.[CH2:26]([N+:27]([CH2:28][CH2:29][CH2:30][CH3:31])([CH2:32][CH2:33][CH2:34][CH3:35])[CH2:36][CH2:37][CH2:38][CH3:39])[CH2:40][CH2:41][CH3:42].[CH3:43][C:44](=[O:45])[CH3:46].[I-:25].[K+:11].[K+:12].[O-:13][C:14]([O-:15])=[O:16].[OH:1][c:2]1[cH:3][cH:4][c:5]([N+:8]([O-:9])=[O:10])[cH:6][cH:7]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]([N+:8]([O-:9])=[O:10])[cH:6][cH:7]1)[CH2:18][c:19]1[n:20][o:21][c:22]([CH3:24])[cH:23]1

Participants

8

Reactant 7

HCID 180AcetoneHCID 813Potassium Cation2×HCID 9804-NitrophenolHCID 16028TetrabutylammoniumHCID 19660Carbonate IonHCID 30165Iodide IonHCID 27763043-(Bromomethyl)-5-methylisoxazole

Product 1

HCID 605945865-Methyl-3-(4-nitrophenoxymethyl)isoxazole

Sources & evidence

ORD record
ord-313c04f3d55b44d9870d0d873eb5d402
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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