Ammonium → 1,1,1-Trifluoro-4-phenyl-but-3-yn-2-one
Reaction equation
[CH2:32]1[O:33][CH2:34][CH2:35][CH2:36]1.[CH2:9]([Li:10])[CH2:11][CH2:12][CH3:13].[CH3:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:19].[Cl-:29].[F:20][C:21]([C:22](=[O:23])[O:24][CH2:25][CH3:26])([F:27])[F:28].[NH4+:30].[OH2:31].[c:1]1([C:7]#[CH:8])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7]#[C:8][C:22]([C:21]([F:20])([F:27])[F:28])=[O:23])[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
9
Sources & evidence
- ORD record
- ord-7d0dfe45fd324e3d87f0d6594fab4ed6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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