Methane → 4'-({4-[1-(4-Hydroxyphenyl)piperidin-4-yl]-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}methyl)biphenyl-2-carbonitrile
Reaction equation
[C:54].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([N:15]2[CH2:16][CH2:17][CH:18]([n:21]3[c:22]4[n:23]([c:24]([CH2:43][CH2:44][CH3:45])[c:25]([CH2:28][c:29]5[cH:30][cH:31][c:32](-[c:35]6[c:36]([C:41]#[N:42])[cH:37][cH:38][cH:39][cH:40]6)[cH:33][cH:34]5)[c:26]3=[O:27])[n:46][cH:47][n:48]4)[CH2:19][CH2:20]2)[cH:13][cH:14]1.[CH3:56][OH:57].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[Pd:55]>>[OH:8][c:9]1[cH:10][cH:11][c:12]([N:15]2[CH2:16][CH2:17][CH:18]([n:21]3[c:22]4[n:23]([c:24]([CH2:43][CH2:44][CH3:45])[c:25]([CH2:28][c:29]5[cH:30][cH:31][c:32](-[c:35]6[c:36]([C:41]#[N:42])[cH:37][cH:38][cH:39][cH:40]6)[cH:33][cH:34]5)[c:26]3=[O:27])[n:46][cH:47][n:48]4)[CH2:19][CH2:20]2)[cH:13][cH:14]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-4c589f22018449598cf86fde65a7d25d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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