Acetone → 2,2-Dimethyl-chroman-4-one

HRID 98630

Reaction equation

HRID 98630 reaction equation
[CH2:11]1[CH2:12][NH:13][CH2:14][CH2:15]1.[CH3:16][C:17]([CH3:18])=[O:19].[OH:1][CH2:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1>>[CH2:2]1[C:3](=[O:4])[c:5]2[c:6]([cH:7][cH:8][cH:9][cH:10]2)[O:19][C:17]1([CH3:16])[CH3:18]

Participants

4

Reactant 3

HCID 180AcetoneHCID 31268PyrrolidineHCID 68490alpha-Hydroxyacetophenone

Product 1

HCID 74542902,2-Dimethyl-chroman-4-one

Sources & evidence

ORD record
ord-a185df4060ed44fcbe13aab4a65987d7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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