Acetic Acid → 3-methylsulfinyl-11H-s-triazolo[3,4-b][3]benzazepine
Reaction equation
[CH3:1][S:2][c:3]1[n:4][n:5][c:6]2[n:12]1[CH:11]=[CH:10][c:9]1[c:8]([cH:16][cH:15][cH:14][cH:13]1)[CH2:7]2.[CH3:30][C:31](=[O:32])[OH:33].[Na+:28].[Na+:29].[OH:22][OH:23].[S:17]([OH:18])(=[O:19])(=[O:20])[OH:21].[S:24]([O-:25])([O-:26])=[O:27]>>[CH3:1][S:2]([c:3]1[n:4][n:5][c:6]2[n:12]1[CH:11]=[CH:10][c:9]1[c:8]([cH:16][cH:15][cH:14][cH:13]1)[CH2:7]2)=[O:18]Participants
7
Sources & evidence
- ORD record
- ord-29e2c6142e5a438bac1f9e265cc0e182
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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