2-Tert-butyl-4-[4-(3-chloropropyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine → 2-Tert-butyl-4-[4-[3-[(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
Reaction equation
[C:12]([CH3:13])([CH3:14])([CH3:15])[c:16]1[n:17][c:18]([C:32]([F:33])([F:34])[F:35])[cH:19][c:20]([N:22]2[CH2:23][CH2:24][N:25]([CH2:28][CH2:29][CH2:30][Cl:31])[CH2:26][CH2:27]2)[n:21]1.[CH3:1][n:2]1[c:3]([SH:11])[n:4][n:5][c:6]1[C:7]([CH3:8])([CH3:9])[CH3:10]>>[CH3:1][n:2]1[c:3]([S:11][CH2:30][CH2:29][CH2:28][N:25]2[CH2:24][CH2:23][N:22]([c:20]3[cH:19][c:18]([C:32]([F:33])([F:34])[F:35])[n:17][c:16]([C:12]([CH3:13])([CH3:14])[CH3:15])[n:21]3)[CH2:27][CH2:26]2)[n:4][n:5][c:6]1[C:7]([CH3:8])([CH3:9])[CH3:10]Participants
3
Sources & evidence
- ORD record
- ord-520d9398e11d4e3a8ebe19662056d56a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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