Acetic Acid → 11N-831

HRID 1233477Notes

Reaction equation

HRID 1233477 reaction equation
[C:25]([OH:26])(=[O:27])[CH3:28].[CH2:19]1[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]1.[CH2:8]1[O:9][c:10]2[cH:11][c:12]([CH:13]=[O:14])[cH:15][cH:16][c:17]2[O:18]1.[CH3:1][C:2](=[O:3])[CH2:4][C:5]([CH3:6])=[O:7].[CH:29]([OH:30])([CH3:31])[CH3:32]>>[CH3:1][C:2](=[O:3])[C:4]([C:5]([CH3:6])=[O:7])=[CH:13][c:12]1[cH:11][c:10]2[c:17]([cH:16][cH:15]1)[O:18][CH2:8][O:9]2

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 3776IsopropanolHCID 8082PiperidineHCID 8438PiperonalHCID 31261Acetylacetone

Product 1

HCID 24041511N-831

Sources & evidence

ORD record
ord-103ad5e9dcd64121904b4ce2960d4cbf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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