Potassium Cation → 2,2-Dimethyl-5-phenyl-4H-(1,3)benzodioxin-4-one

HRID 104004Notes

Reaction equation

HRID 104004 reaction equation
[CH3:1][C:2]1([CH3:21])[O:3][C:4](=[O:20])[c:5]2[c:6]([cH:8][cH:9][cH:10][c:11]2[O:12][S:13]([C:14]([F:15])([F:16])[F:17])(=[O:18])=[O:19])[O:7]1.[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[K+:27].[K+:28].[K+:29].[OH2:55].[P:22]([O-:23])([O-:24])([O-:25])=[O:26].[P:45](=[O:46])([OH:47])([OH:48])[OH:49].[c:30]1([B:36]([O:37][CH:38]([CH3:39])[CH3:40])[O:41][CH:42]([CH3:43])[CH3:44])[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[CH3:1][C:2]1([CH3:21])[O:3][C:4](=[O:20])[c:5]2[c:6]([cH:8][cH:9][cH:10][c:11]2-[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[O:7]1

Participants

8

Reactant 7

HCID 813Potassium Cation3×HCID 962WaterHCID 1004Phosphoric AcidHCID 1061PhosphateHCID 6228DimethylformamideHCID 569210Bis(1-methylethyl) B-phenylboronateHCID 108927482,2-Dimethyl-4-oxo-4H-benzo[D][1,3]dioxin-5-YL trifluoromethanesulfonate

Product 1

HCID 152794362,2-Dimethyl-5-phenyl-4H-(1,3)benzodioxin-4-one

Sources & evidence

ORD record
ord-8ad5c4392b124e71b6683d185493c1ae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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