Acetic Acid → 4-Amino-7-cyano-2-methylbenzoxazole
Reaction equation
[C:16]([OH:17])(=[O:18])[CH3:19].[CH3:1][c:2]1[o:3][c:4]2[c:5]([n:6]1)[c:7]([N+:13]([O-:14])=[O:15])[cH:8][cH:9][c:10]2[C:11]#[N:12].[CH3:20][CH2:21][O:22][C:23]([CH3:24])=[O:25].[Fe:26]>>[CH3:1][c:2]1[o:3][c:4]2[c:5]([n:6]1)[c:7]([NH2:13])[cH:8][cH:9][c:10]2[C:11]#[N:12]Participants
5
Sources & evidence
- ORD record
- ord-2e52945eb7f34f7bbfeab580e7d2b261
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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