Acetic Acid → 5,6-diamino-1-(1H-benzimidazol-2-ylmethyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Reaction equation
[CH3:32][C:33](=[O:34])[OH:35].[N:20]([O-:21])=[O:22].[NH2:1][c:2]1[cH:3][c:4](=[O:19])[nH:5][c:6](=[S:18])[n:7]1[CH2:8][c:9]1[n:10][c:11]2[c:12]([nH:13]1)[cH:14][cH:15][cH:16][cH:17]2.[Na+:23].[Na+:30].[Na+:31].[OH2:36].[S:24]([S:25]([O-:26])=[O:27])([O-:28])=[O:29]>>[NH2:1][c:2]1[c:3]([NH2:20])[c:4](=[O:19])[nH:5][c:6](=[S:18])[n:7]1[CH2:8][c:9]1[n:10][c:11]2[c:12]([nH:13]1)[cH:14][cH:15][cH:16][cH:17]2Participants
7
Sources & evidence
- ORD record
- ord-f7a3eb14bf394892afe56b7d668a5dfb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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