Acetone → Benzonitrile, 4-[8-(4-chlorophenyl)-5,6-dihydro-3-(hydroxyMethyl)-5-[[2-Methyl-6-(trifluoroMethyl)-3-pyridinyl]Methyl]-6-oxo-1,2,4-triazolo[4,3-b]pyridazin-7-yl]-
Reaction equation
[CH3:42][C:43]([CH3:44])=[O:45].[CH3:48][CH2:49][O:50][C:51]([CH3:52])=[O:53].[Cl:1][CH2:2][c:3]1[n:4][n:5][c:6]2[n:7]1[n:8]([CH2:28][c:29]1[c:30]([CH3:39])[n:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]1)[c:9](=[O:27])[c:10](-[c:19]1[cH:20][cH:21][c:22]([C:23]#[N:24])[cH:25][cH:26]1)[c:11]2-[c:12]1[cH:13][cH:14][c:15]([Cl:18])[cH:16][cH:17]1.[I-:41].[Na+:40].[Na+:47].[OH-:46].[OH2:54]>>[CH2:2]([c:3]1[n:4][n:5][c:6]2[n:7]1[n:8]([CH2:28][c:29]1[c:30]([CH3:39])[n:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]1)[c:9](=[O:27])[c:10](-[c:19]1[cH:20][cH:21][c:22]([C:23]#[N:24])[cH:25][cH:26]1)[c:11]2-[c:12]1[cH:13][cH:14][c:15]([Cl:18])[cH:16][cH:17]1)[OH:45]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-4a45e9b47b704303aa44766b4678a8fa
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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