Acetonitrile → 3-(4-Chloro-2-fluorophenyl)-3-oxopropanenitrile
Reaction equation
[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH2:27]1[O:28][CH2:29][CH2:30][CH2:31]1.[CH3:13][C:14]#[N:15].[CH3:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37].[CH:6]([NH:7][CH:8]([CH3:9])[CH3:10])([CH3:11])[CH3:12].[Cl:16][c:17]1[cH:18][c:19]([F:26])[c:20]([C:21](=[O:22])[O-:23])[cH:24][cH:25]1>>[CH2:13]([C:14]#[N:15])[C:21]([c:20]1[c:19]([F:26])[cH:18][c:17]([Cl:16])[cH:25][cH:24]1)=[O:22]Participants
7
Sources & evidence
- ORD record
- ord-70e5455d52ff47c9918989c183b8cbfc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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