Acetic Acid → Methyl 5-(2-nitrophenyl)-3-oxopent-4-enoate

HRID 167977Notes

Reaction equation

HRID 167977 reaction equation
[C:12]([CH2:13][C:14](=[O:15])[CH3:16])(=[O:17])[O:18][CH3:19].[CH2:20]1[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]1.[CH3:26][C:27](=[O:28])[OH:29].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([CH:6]=[O:7])[cH:8][cH:9][cH:10][cH:11]1.[cH:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([CH:6]=[CH:16][C:14]([CH2:13][C:12](=[O:17])[O:18][CH3:19])=[O:15])[cH:8][cH:9][cH:10][cH:11]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 241BenzeneHCID 7757Methyl acetoacetateHCID 8082PiperidineHCID 111012-Nitrobenzaldehyde

Product 1

HCID 53723829Methyl 5-(2-nitrophenyl)-3-oxopent-4-enoate

Sources & evidence

ORD record
ord-d8ee6c9e9b704aa78c180d54c9aff93a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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