Acetic Acid → 9-(5-Amino-4-chloro-2-fluorophenyl)imino-8-thia-1,6-diazabicyclo[4.3.0]nonane-7-thione
Reaction equation
[CH3:23][C:24](=[O:25])[OH:26].[Cl:1][c:2]1[cH:3][c:4]([F:22])[c:5]([N:11]=[c:12]2[s:13][c:14](=[S:21])[n:15]3[n:20]2[CH2:19][CH2:18][CH2:17][CH2:16]3)[cH:6][c:7]1[N+:8]([O-:9])=[O:10].[Fe:27]>>[Cl:1][c:2]1[cH:3][c:4]([F:22])[c:5]([N:11]=[c:12]2[s:13][c:14](=[S:21])[n:15]3[n:20]2[CH2:19][CH2:18][CH2:17][CH2:16]3)[cH:6][c:7]1[NH2:8]Participants
4
Sources & evidence
- ORD record
- ord-8b916280b9d04b25bb5d258f80188502
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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