Ammonium → 2-Bromo-4-(6,6-dimethyl-4-oxo-3-difluoromethyl-4,5,6,7-tetrahydroindazol-1-yl)-benzonitrile
Reaction equation
[Br:18][c:19]1[c:20]([C:21]#[N:22])[cH:23][cH:24][c:25]([F:27])[cH:26]1.[CH3:28][S:29]([CH3:30])=[O:31].[Cl-:32].[F:3][CH:4]([c:5]1[n:6][nH:7][c:8]2[c:13]1[C:12](=[O:14])[CH2:11][C:10]([CH3:15])([CH3:16])[CH2:9]2)[F:17].[H-:2].[NH4+:33].[Na+:1].[OH2:34]>>[F:3][CH:4]([c:5]1[n:6][n:7](-[c:25]2[cH:24][cH:23][c:20]([C:21]#[N:22])[c:19]([Br:18])[cH:26]2)[c:8]2[c:13]1[C:12](=[O:14])[CH2:11][C:10]([CH3:15])([CH3:16])[CH2:9]2)[F:17]Participants
9
Sources & evidence
- ORD record
- ord-9b648bd912174cef897ddd82c185ea8d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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