1-(4-Fluorophenyl)-4-(methylsulfonyl)piperazine → 1-(3,3-Dimethyloct-1-en-5-ynylsulfonyl)-4-(4-fluorophenyl)piperazine
Reaction equation
[CH3:18][C:19]([CH:20]=[O:21])([CH2:22][C:23]#[C:24][CH2:25][CH3:26])[CH3:27].[F:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([S:14](=[O:15])(=[O:16])[CH3:17])[CH2:12][CH2:13]2)[cH:6][cH:7]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([S:14](=[O:15])(=[O:16])[CH:17]=[CH:20][C:19]([CH3:18])([CH2:22][C:23]#[C:24][CH2:25][CH3:26])[CH3:27])[CH2:12][CH2:13]2)[cH:6][cH:7]1Participants
3
Sources & evidence
- ORD record
- ord-feca72156d6a4c98a57d1ec7f9110698
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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