Acetic Acid → 2-benzylthio-7-hydroxy-6-nitro-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[S:8][c:9]1[n:10][n:11]2[c:12]([n:13][c:14]([OH:18])[cH:15][c:16]2=[O:17])[s:19]1.[CH3:25][C:26](=[O:27])[OH:28].[OH2:24].[OH:20][N+:21]([O-:22])=[O:23]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[S:8][c:9]1[n:10][n:11]2[c:12]([n:13][c:14]([OH:18])[c:15]([N+:21](=[O:20])[O-:22])[c:16]2=[O:17])[s:19]1Participants
5
Sources & evidence
- ORD record
- ord-3aaab0b49c8643ecbc7413ae61b56fb6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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