Acetic Acid → HCID 367454, compound

HRID 2333068Notes

Reaction equation

HRID 2333068 reaction equation
[C:25]([OH:26])(=[O:27])[CH3:28].[CH2:19]1[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]1.[CH3:1][C:2](=[O:3])[CH2:4][C:5]([CH3:6])=[O:7].[CH:29]([OH:30])([CH3:31])[CH3:32].[N+:8](=[O:9])([O-:10])[c:11]1[cH:12][cH:13][c:14]([CH:15]=[O:16])[cH:17][cH:18]1>>[CH3:1][C:2](=[O:3])[C:4]([C:5]([CH3:6])=[O:7])=[CH:15][c:14]1[cH:13][cH:12][c:11]([N+:8](=[O:9])[O-:10])[cH:18][cH:17]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 5414-NitrobenzaldehydeHCID 3776IsopropanolHCID 8082PiperidineHCID 31261Acetylacetone

Product 1

HCID 367454HCID 367454, compound

Sources & evidence

ORD record
ord-0ec7fb2517174e89b000218f740423b3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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