Acetic Acid → Racemic 6-(4-{4-[2-(4-acetylpiperazin-1-yl)propoxy]phenyl}piperidin-1-yl)-3-(trifluoromethyl)-7, 8-dihydro[1,2,4]triazolo[4,3-b]pyridazine
Reaction equation
[C:35]([CH3:36])(=[O:37])[N:38]1[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]1.[C:50]([O:51][BH-:52]([O:53][C:54](=[O:55])[CH3:56])[O:57][C:58](=[O:59])[CH3:60])(=[O:61])[CH3:62].[CH2:64]1[O:65][CH2:66][CH2:67][CH2:68]1.[CH3:1][C:2](=[O:3])[OH:4].[F:5][C:6]([c:7]1[n:8][n:9][c:10]2[n:11]1[N:12]=[C:13]([N:16]1[CH2:17][CH2:18][CH:19]([c:22]3[cH:23][cH:24][c:25]([O:26][CH2:27][C:28]([CH3:29])=[O:30])[cH:31][cH:32]3)[CH2:20][CH2:21]1)[CH2:14][CH2:15]2)([F:33])[F:34].[Mg+2:44].[Na+:63].[O-:45][S:46]([O-:47])(=[O:48])=[O:49]>>[F:5][C:6]([c:7]1[n:8][n:9][c:10]2[n:11]1[N:12]=[C:13]([N:16]1[CH2:17][CH2:18][CH:19]([c:22]3[cH:23][cH:24][c:25]([O:26][CH2:27][CH:28]([CH3:29])[N:41]4[CH2:40][CH2:39][N:38]([C:35]([CH3:36])=[O:37])[CH2:43][CH2:42]4)[cH:31][cH:32]3)[CH2:20][CH2:21]1)[CH2:14][CH2:15]2)([F:33])[F:34]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-df829ebaa9df46399511e85e0e6e13b2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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