Acetic Acid → HCID 12766830, compound

HRID 307628Notes

Reaction equation

HRID 307628 reaction equation
[C:15]([CH2:16][C:17](=[O:18])[O:19][CH2:20][CH3:21])(=[O:22])[O:23][CH2:24][CH3:25].[CH2:1]([CH3:2])[O:3][c:4]1[c:5]([CH:6]=[O:7])[cH:8][c:9]([O:12][CH2:13][CH3:14])[cH:10][cH:11]1.[CH2:26]1[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]1.[CH3:32][C:33](=[O:34])[OH:35].[OH2:42].[cH:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[CH2:1]([CH3:2])[O:3][c:4]1[c:5]([CH:6]=[C:16]([C:15](=[O:22])[O:23][CH2:24][CH3:25])[C:17](=[O:18])[O:19][CH2:20][CH3:21])[cH:8][c:9]([O:12][CH2:13][CH3:14])[cH:10][cH:11]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 241BenzeneHCID 962WaterHCID 7761Diethyl MalonateHCID 8082PiperidineHCID 34343142,5-Diethoxybenzaldehyde

Product 1

HCID 12766830HCID 12766830, compound

Sources & evidence

ORD record
ord-a4f66158884f4d2ab73d6f4270d82b9d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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