Acetic Acid → Ethyl 2-(3-nitrobenzylidene)-3-oxobutanoate

HRID 310100Notes

Reaction equation

HRID 310100 reaction equation
[C:12]([CH2:13][C:14](=[O:15])[CH3:16])(=[O:17])[O:18][CH2:19][CH3:20].[CH2:21]1[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]1.[CH3:27][C:28](=[O:29])[OH:30].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([CH:7]=[O:8])[cH:9][cH:10][cH:11]1.[cH:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([CH:7]=[C:13]([C:12](=[O:17])[O:18][CH2:19][CH3:20])[C:14](=[O:15])[CH3:16])[cH:9][cH:10][cH:11]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 241BenzeneHCID 74493-NitrobenzaldehydeHCID 8082PiperidineHCID 8868Ethyl Acetoacetate

Product 1

HCID 367507Ethyl 2-(3-nitrobenzylidene)-3-oxobutanoate

Sources & evidence

ORD record
ord-5cb8798104cd49a3bdff352fe738dba7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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