Acetic Acid → HCID 90831781, compound

HRID 680588Notes

Reaction equation

HRID 680588 reaction equation
[C:24]([OH:25])(=[O:26])[CH3:27].[CH2:28]1[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]1.[Cl:1][c:2]1[n:3][cH:4][c:5]([CH:6]=[O:7])[cH:8][cH:9]1.[Na+:44].[O-:40][C:41]([OH:42])=[O:43].[O:10]=[C:11]([CH2:12][C:13](=[O:14])[O:15][CH2:16][CH3:17])[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1.[cH:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1>>[Cl:1][c:2]1[n:3][cH:4][c:5]([CH:6]=[C:12]([C:11](=[O:10])[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[C:13](=[O:14])[O:15][CH2:16][CH3:17])[cH:8][cH:9]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 241BenzeneHCID 769Bicarbonate IonHCID 923Sodium ionHCID 7170Ethyl benzoylacetateHCID 8082PiperidineHCID 27640536-Chloropyridine-3-carbaldehyde

Product 1

HCID 90831781HCID 90831781, compound

Sources & evidence

ORD record
ord-caeb5c0144cd4f6eaedd3620f4b77ac4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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