Diisopropylethylamine → 6-(6,6-Difluorohexahydro-1H-1,4-diazepin-1-yl)-3-(trifluoromethyl)-1,2,4-triazolo[4,3-b]pyridazine
Reaction equation
[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([n:7]1)[c:8]([C:11]([F:12])([F:13])[F:14])[n:9][n:10]2.[F:15][C:16]1([F:30])[CH2:17][NH:18][CH2:19][CH2:20][N:21]([C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH2:22]1>>[c:2]1([N:21]2[CH2:20][CH2:19][NH:18][CH2:17][C:16]([F:15])([F:30])[CH2:22]2)[cH:3][cH:4][c:5]2[n:6]([n:7]1)[c:8]([C:11]([F:12])([F:13])[F:14])[n:9][n:10]2Participants
4
Sources & evidence
- ORD record
- ord-c585f2984c1f49369718d3267d25def7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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