Acetic Acid → 2-(4-Hydroxy-3-nitrobenzylidene)acetylacetone

HRID 100954

Reaction equation

HRID 100954 reaction equation
[CH2:24]1[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]1.[CH3:13][C:14](=[O:15])[CH2:16][C:17]([CH3:18])=[O:19].[CH3:20][C:21](=[O:22])[OH:23].[CH3:36][CH2:37][O:38][CH2:39][CH3:40].[OH:1][c:2]1[c:3]([N+:10](=[O:11])[O-:12])[cH:4][c:5]([CH:6]=[O:7])[cH:8][cH:9]1.[cH:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[OH:1][c:2]1[c:3]([N+:10](=[O:11])[O-:12])[cH:4][c:5]([CH:6]=[CH:13][C:14](=[O:15])[CH2:16][C:17]([CH3:18])=[O:19])[cH:8][cH:9]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 241BenzeneHCID 3283Diethyl EtherHCID 8082PiperidineHCID 181694-Hydroxy-3-nitrobenzaldehydeHCID 31261Acetylacetone

Product 1

HCID 570301622-(4-Hydroxy-3-nitrobenzylidene)acetylacetone

Sources & evidence

ORD record
ord-6264aba3cd964222a7bec753cc575fc8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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