Ethanol → 6-[4-(5-Bromopyridin-2-yl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[n:6][cH:7]1.[CH3:28][CH2:29][OH:30].[Cl:14][c:15]1[cH:16][cH:17][c:18]2[n:19]([n:20]1)[c:21]([C:24]([F:25])([F:26])[F:27])[n:22][n:23]2>>[Br:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([c:15]3[cH:16][cH:17][c:18]4[n:19]([n:20]3)[c:21]([C:24]([F:25])([F:26])[F:27])[n:22][n:23]4)[CH2:12][CH2:13]2)[n:6][cH:7]1Participants
4
Sources & evidence
- ORD record
- ord-83bb3688553e4bf3bd459dbbe7a55a56
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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