Methanol → 6-(3,8-Diazabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
Reaction equation
[CH3:39][OH:40].[Cl:36][CH2:37][Cl:38].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[F:8][C:9]([c:10]1[n:11][n:12][c:13]2[n:14]1[n:15][c:16]([N:19]1[CH2:20][CH:21]3[CH2:22][CH2:23][CH:24]([CH2:25]1)[N:26]3[C:27]([O:28][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33])[cH:17][cH:18]2)([F:34])[F:35]>>[F:8][C:9]([c:10]1[n:11][n:12][c:13]2[n:14]1[n:15][c:16]([N:19]1[CH2:20][CH:21]3[CH2:22][CH2:23][CH:24]([CH2:25]1)[NH:26]3)[cH:17][cH:18]2)([F:34])[F:35]Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-40b86940bf644311a901bf2a04a91321
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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