Acetate → 4'-[(4-{1-[4-(Benzyloxy)phenyl]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:66]([O-:67])(=[O:68])[CH3:69].[C:71]([O-:72])(=[O:73])[CH3:74].[CH2:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[O:42][c:43]1[cH:44][cH:45][c:46]([O:49][B:50]([OH:51])[OH:52])[cH:47][cH:48]1.[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[CH3:75][CH2:76][O:77][C:78](=[O:79])[CH3:80].[Cu+2:70].[O:1]=[c:2]1[n:3]([CH:29]2[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]2)[c:4]2[n:5]([c:6]([CH2:23][CH2:24][CH3:25])[c:7]1[CH2:8][c:9]1[cH:10][cH:11][c:12](-[c:15]3[c:16]([C:21]#[N:22])[cH:17][cH:18][cH:19][cH:20]3)[cH:13][cH:14]1)[n:26][cH:27][n:28]2.[O:81]1[CH2:82][CH2:83][CH2:84][CH2:85]1.[cH:60]1[cH:61][cH:62][n:63][cH:64][cH:65]1>>[O:1]=[c:2]1[n:3]([CH:29]2[CH2:30][CH2:31][N:32]([c:46]3[cH:45][cH:44][c:43]([O:42][CH2:35][c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[cH:48][cH:47]3)[CH2:33][CH2:34]2)[c:4]2[n:5]([c:6]([CH2:23][CH2:24][CH3:25])[c:7]1[CH2:8][c:9]1[cH:10][cH:11][c:12](-[c:15]3[c:16]([C:21]#[N:22])[cH:17][cH:18][cH:19][cH:20]3)[cH:13][cH:14]1)[n:26][cH:27][n:28]2Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-0ead3fd6b1da4d4b98ab56d51a294a9f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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