Acetic Acid → 6-(Cyclohexen-4-yl)-1-(4-hydroxyphenyl)-4-oxo-1,4-dihydronicotinic acid

HRID 1211833Notes

Reaction equation

HRID 1211833 reaction equation
[CH3:1][OH:2].[CH3:29][C:30](=[O:31])[OH:32].[CH:5]1=[CH:6][CH2:7][CH:8]([c:11]2[n:12](-[c:22]3[cH:23][cH:24][c:25]([OH:28])[cH:26][cH:27]3)[cH:13][c:14]([C:15](=[O:16])[O:17][CH3:18])[c:19](=[O:21])[cH:20]2)[CH2:9][CH2:10]1.[Na+:4].[OH-:3]>>[CH:5]1=[CH:6][CH2:7][CH:8]([c:11]2[n:12](-[c:22]3[cH:23][cH:24][c:25]([OH:28])[cH:26][cH:27]3)[cH:13][c:14]([C:15](=[O:16])[OH:17])[c:19](=[O:21])[cH:20]2)[CH2:9][CH2:10]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 14010738Methyl 6-(cyclohexen-4-yl)-1-(4-hydroxyphenyl)-4-oxo-1,4-dihydronicotinate

Product 1

HCID 201838406-(Cyclohexen-4-yl)-1-(4-hydroxyphenyl)-4-oxo-1,4-dihydronicotinic acid

Sources & evidence

ORD record
ord-2e55abbc1e634e61b2c8d69f6bbe42f6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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