Methyl cyanoacetate → Methyl 2-cyano-4-(2-fluorophenyl)-3-methyl-4-oxobutanoate
Reaction equation
[Br:17][CH:18]([C:19](=[O:20])[c:21]1[c:22]([F:27])[cH:23][cH:24][cH:25][cH:26]1)[CH3:28].[CH3:1][O:2][C:3](=[O:4])[CH2:5][C:6]#[N:7].[CH:8]([N:9]([CH:10]([CH3:11])[CH3:12])[CH2:13][CH3:14])([CH3:15])[CH3:16].[O:29]1[CH2:30][CH2:31][CH2:32][CH2:33]1>>[CH3:1][O:2][C:3](=[O:4])[CH:5]([C:6]#[N:7])[CH:18]([C:19](=[O:20])[c:21]1[c:22]([F:27])[cH:23][cH:24][cH:25][cH:26]1)[CH3:28]Participants
5
Sources & evidence
- ORD record
- ord-c8df92e8bf784d93aed555cd71663959
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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