Acetic Acid → HCID 54501026, compound

HRID 310730Notes

Reaction equation

HRID 310730 reaction equation
[C:12]([CH2:13][C:14](=[O:15])[CH3:16])(=[O:17])[O:18][CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[CH2:1]1[O:2][c:3]2[cH:4][c:5]([CH:6]=[O:7])[cH:8][cH:9][c:10]2[O:11]1.[CH2:26]1[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]1.[CH3:32][C:33](=[O:34])[OH:35].[CH3:36][CH:37]([OH:38])[CH3:39]>>[CH2:1]1[O:2][c:3]2[cH:4][c:5]([CH:6]=[C:13]([C:12](=[O:17])[O:18][CH2:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[C:14](=[O:15])[CH3:16])[cH:8][cH:9][c:10]2[O:11]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 3776IsopropanolHCID 8082PiperidineHCID 8438PiperonalHCID 142266Benzyl acetoacetate

Product 1

HCID 54501026HCID 54501026, compound

Sources & evidence

ORD record
ord-5d833f6763234da69cb60f1a42552e83
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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