Acetic Acid → N-(4-methylphenylsulfonyl)-2,5-difluoro-4-nitroaniline
Reaction equation
[CH3:24][C:25](=[O:26])[OH:27].[CH3:5][c:6]1[cH:7][cH:8][c:9]([S:12](=[O:13])(=[O:14])[NH:15][c:16]2[c:17]([F:23])[cH:18][cH:19][c:20]([F:22])[cH:21]2)[cH:10][cH:11]1.[N:28]([O-:29])=[O:30].[Na+:31].[OH2:32].[OH:1][N+:2]([O-:3])=[O:4]>>[O-:1][N+:2](=[O:4])[c:19]1[cH:18][c:17]([F:23])[c:16]([NH:15][S:12]([c:9]2[cH:8][cH:7][c:6]([CH3:5])[cH:11][cH:10]2)(=[O:13])=[O:14])[cH:21][c:20]1[F:22]Participants
7
Sources & evidence
- ORD record
- ord-81cd03b4b87246e7806e3f4a21c4904b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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