Acetate → 4'-[(3-butyl-5-oxo-1-phenyl-1,5-dihydro-4H-1,2,4-triazol-4-yl)methyl]biphenyl-2-carbonitrile
Reaction equation
[C:48]([O-:49])(=[O:50])[CH3:51].[C:53]([O-:54])(=[O:55])[CH3:56].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][nH:7][c:8](=[O:25])[n:9]1[CH2:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[c:18]([C:23]#[N:24])[cH:19][cH:20][cH:21][cH:22]2)[cH:15][cH:16]1.[CH2:63]([Cl:64])[Cl:65].[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[Cu+2:52].[OH:26][B:27]([OH:28])[c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[cH:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][n:7](-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:8](=[O:25])[n:9]1[CH2:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[c:18]([C:23]#[N:24])[cH:19][cH:20][cH:21][cH:22]2)[cH:15][cH:16]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-c6d50e1088714f1490985a6ad134e05a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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