Hydrochloric Acid → Nitecapone

HRID 203839Notes

Reaction equation

HRID 203839 reaction equation
[CH3:14][C:15]([CH2:16][C:17]([CH3:18])=[O:19])=[O:20].[ClH:21].[O:22]1[CH2:23][CH2:24][CH2:25][CH2:26]1.[OH:1][c:2]1[cH:3][c:4]([CH:5]=[O:6])[cH:7][c:8]([N+:11](=[O:12])[O-:13])[c:9]1[OH:10]>>[OH:1][c:2]1[cH:3][c:4]([CH:5]=[C:16]([C:15]([CH3:14])=[O:20])[C:17]([CH3:18])=[O:19])[cH:7][c:8]([N+:11](=[O:12])[O-:13])[c:9]1[OH:10]

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 31261AcetylacetoneHCID 57489573,4-Dihydroxy-5-nitrobenzaldehyde

Product 1

HCID 5464105Nitecapone

Sources & evidence

ORD record
ord-b0ca57b2de2441878c0a43a8a65dd2a2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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