Ammonium → 2-(Cyclohexylthio)-6-(trifluoromethyl)nicotinonitrile
Reaction equation
[CH:3]1([SH:9])[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]1.[Cl-:23].[Cl:10][c:11]1[c:12]([C:13]#[N:14])[cH:15][cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[n:18]1.[H-:2].[NH4+:24].[Na+:1].[O:25]=[CH:26][N:27]([CH3:28])[CH3:29].[OH2:30]>>[CH:3]1([S:9][c:11]2[c:12]([C:13]#[N:14])[cH:15][cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[n:18]2)[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]1Participants
9
Sources & evidence
- ORD record
- ord-63588bb8a60a4f88bf35f94eca08ba71
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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