Diethyl (3-methylbut-2-enyl)malonate → Barbituric Acid

HRID 108626

Reaction equation

HRID 108626 reaction equation
[CH3:15][C:16]([CH3:17])=[CH:18][CH2:19][CH:20]([C:21]([O:22][CH2:23][CH3:24])=[O:25])[C:26]([O:27][CH2:28][CH3:29])=[O:30].[CH3:1][C:2]([CH3:3])=[CH:4][CH2:14][N:5]1[C:6](=[O:7])[NH:8][C:9](=[O:10])[CH2:11][C:12]1=[O:13].[OH:31][CH2:32][CH2:33][CH2:34][CH:35]1[CH2:36][CH:37]([C:38]([CH2:39][C:40]([CH3:41])=[CH2:42])([C:43]([O:44][CH2:45][CH3:46])=[O:47])[C:48]([O:49][CH2:50][CH3:51])=[O:52])[CH:53]=[CH:54]1>>[NH:5]1[C:6](=[O:7])[NH:8][C:9](=[O:10])[CH2:11][C:12]1=[O:13]

Participants

4

Reactant 3

HCID 89748Diethyl (3-methylbut-2-enyl)malonateHCID 199047111-(3-Methylbut-2-enyl)-1,3-diazinane-2,4,6-trioneHCID 67791342Diethyl 2-[4-(3-hydroxypropyl)cyclopent-2-en-1-yl]-2-(2-methylprop-2-enyl)propanedioate

Product 1

HCID 6211Barbituric Acid

Sources & evidence

ORD record
ord-c655ad33f7fe468eb5f5572276a33c53
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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