Bromide ion → 3'-Fluoro-4'-{[4-(4-{1-[1-(1-hydroxyethyl)cyclobutyl]ethoxy}cyclohexyl)-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile
Reaction equation
[Br-:45].[CH3:46][Mg+:47].[ClH:48].[F:1][c:2]1[cH:3][c:4](-[c:37]2[c:38]([C:43]#[N:44])[cH:39][cH:40][cH:41][cH:42]2)[cH:5][cH:6][c:7]1[CH2:8][c:9]1[c:10](=[O:36])[n:11]([CH:21]2[CH2:22][CH2:23][CH:24]([O:27][CH:28]([CH3:29])[C:30]3([CH:34]=[O:35])[CH2:31][CH2:32][CH2:33]3)[CH2:25][CH2:26]2)[c:12]2[n:13]([c:14]1[CH2:15][CH2:16][CH3:17])[n:18][cH:19][n:20]2.[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1>>[F:1][c:2]1[cH:3][c:4](-[c:37]2[c:38]([C:43]#[N:44])[cH:39][cH:40][cH:41][cH:42]2)[cH:5][cH:6][c:7]1[CH2:8][c:9]1[c:10](=[O:36])[n:11]([CH:21]2[CH2:22][CH2:23][CH:24]([O:27][CH:28]([CH3:29])[C:30]3([CH:34]([OH:35])[CH3:46])[CH2:31][CH2:32][CH2:33]3)[CH2:25][CH2:26]2)[c:12]2[n:13]([c:14]1[CH2:15][CH2:16][CH3:17])[n:18][cH:19][n:20]2Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-44a2d0036eab4032a38a95acad2e1f4b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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