Acetic Acid → Pipemidic Acid

HRID 2329303Notes

Reaction equation

HRID 2329303 reaction equation
[CH3:36][C:37](=[O:38])[OH:39].[N:1]1([c:7]2[n:8][cH:9][c:10]3[c:11]([n:12]2)[nH:13][cH:14][c:15]([C:18](=[O:19])[OH:20])[c:16]3=[O:17])[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[Na+:21].[Na+:22].[O-:23][C:24](=[O:25])[O-:26].[S:27]([O:28][CH2:29][CH3:30])([O:33][CH2:31][CH3:32])(=[O:34])=[O:35]>>[N:1]1([c:7]2[n:8][cH:9][c:10]3[c:11]([n:12]2)[n:13]([CH2:31][CH3:32])[cH:14][c:15]([C:18](=[O:19])[OH:20])[c:16]3=[O:17])[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ion2×HCID 6163Diethyl SulfateHCID 19660Carbonate IonHCID 12850756HCID 12850756, compound

Product 1

HCID 4831Pipemidic Acid

Sources & evidence

ORD record
ord-1a45800d563d459186b01fcf9b46dfb9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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