Acetic Acid → 5H-s-triazolo[5,1-a]isoindole
Reaction equation
[C:26]([OH:27])(=[O:28])[CH3:29].[CH:23]([NH2:24])=[O:25].[N:19]([O-:20])=[O:21].[NH2:6][c:7]1[n:8][n:9]2[c:10]([n:18]1)-[c:11]1[cH:12][cH:13][cH:14][cH:15][c:16]1[CH2:17]2.[NH:30]1[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]1.[Na+:22].[OH2:36].[S:1](=[O:2])(=[O:3])([OH:4])[OH:5]>>[cH:7]1[n:8][n:9]2[c:10]([n:18]1)-[c:11]1[cH:12][cH:13][cH:14][cH:15][c:16]1[CH2:17]2Participants
9
Sources & evidence
- ORD record
- ord-650db153221d4d2cb0bb82355e3d4c15
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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