Sodium ion → 4'-[(3-butyl-1-sec-butyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)methyl]biphenyl-2-carbonitrile
Reaction equation
[Br:33][CH:34]([CH3:35])[CH2:36][CH3:37].[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.[CH3:26][N:27]([CH3:28])[CH:29]=[O:30].[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[H-:31].[Na+:32]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][n:7]([CH:34]([CH3:35])[CH2:36][CH3:37])[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
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-f30c8003e81f4dfda2dbbb96b2a5ca8b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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