Acetic Acid → HCID 53644054, compound

HRID 87689Notes

Reaction equation

HRID 87689 reaction equation
[CH2:28]1[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]1.[CH3:12][O:13][CH:14]([C:15]([CH2:16][C:17](=[O:18])[O:19][CH3:20])=[O:21])[O:22][CH3:23].[CH3:24][C:25](=[O:26])[OH:27].[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:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([CH:6]=[C:16]([C:15]([CH:14]([O:13][CH3:12])[O:22][CH3:23])=[O:21])[C:17](=[O:18])[O:19][CH3:20])[cH:8][cH:9][cH:10][cH:11]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 241BenzeneHCID 8082PiperidineHCID 111012-NitrobenzaldehydeHCID 11008445Methyl 4,4-dimethoxy-3-oxobutanoate

Product 1

HCID 53644054HCID 53644054, compound

Sources & evidence

ORD record
ord-862a826a6bfa481eab027cc244fb9270
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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