Sodium ion → 2-[6-(1-Ethyl-propoxy)-2,5-dimethylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)-propionitrile
Reaction equation
[CH2:31]1[O:32][CH2:33][CH2:34][CH2:35]1.[CH3:1][CH2:2][CH:3]([CH2:4][CH3:5])[OH:6].[Cl:9][c:10]1[c:11]([CH3:30])[c:12]([C:17]([C:18]#[N:19])([CH3:20])[c:21]2[c:22]([CH3:29])[cH:23][c:24]([CH3:28])[cH:25][c:26]2[CH3:27])[n:13][c:14]([CH3:16])[n:15]1.[H-:7].[Na+:8]>>[CH3:1][CH2:2][CH:3]([CH2:4][CH3:5])[O:6][c:10]1[c:11]([CH3:30])[c:12]([C:17]([C:18]#[N:19])([CH3:20])[c:21]2[c:22]([CH3:29])[cH:23][c:24]([CH3:28])[cH:25][c:26]2[CH3:27])[n:13][c:14]([CH3:16])[n:15]1Participants
6
Sources & evidence
- ORD record
- ord-caf8714cf8ab4d35bfc4f4488b07c02e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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