Acetic Acid → 6-Hydroxy-2,2-dimethyl-5-nitro-chroman-4-one

HRID 281633

Reaction equation

HRID 281633 reaction equation
[CH3:15][C:16](=[O:17])[OH:18].[K+:23].[N+:19](=[O:20])([O-:21])[O-:22].[OH2:29].[OH:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[O:8][C:7]([CH3:12])([CH3:13])[CH2:6][C:5]2=[O:14].[S:24](=[O:25])(=[O:26])([OH:27])[OH:28]>>[OH:1][c:2]1[c:3]([N+:19](=[O:20])[O-:21])[c:4]2[c:9]([cH:10][cH:11]1)[O:8][C:7]([CH3:12])([CH3:13])[CH2:6][C:5]2=[O:14]

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 813Potassium CationHCID 943NitrateHCID 962WaterHCID 1118Sulfuric AcidHCID 35198596-Hydroxy-2,2-dimethylchroman-4-one

Product 1

HCID 98595226-Hydroxy-2,2-dimethyl-5-nitro-chroman-4-one

Sources & evidence

ORD record
ord-235b9cd1661145099b7b8eac67c18ce0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

Loading…