Bicarbonate Ion → 6-Piperazino-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine
Reaction equation
[C:34](=[O:35])([OH:36])[O-:37].[Cl:39][CH2:40][Cl:41].[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][CH2:21][N:22]([C:25]([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[CH2:23][CH2:24]1)[cH:17][cH:18]2)([F:32])[F:33].[Na+:38].[OH:1][C:2]([C:3]([F:4])([F:5])[F: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][CH2:21][NH:22][CH2:23][CH2:24]1)[cH:17][cH:18]2)([F:32])[F:33]Participants
6
Sources & evidence
- ORD record
- ord-4c16bb5c9c99402fb2ca1bb356322f7c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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