2-{4-[3-Cyclopentyl-4-(2,2-dimethyl-6-oxo-6H-[1,3]dioxin-4-yl)-3-hydroxy-but-1-ynyl]-2-fluoro-phenyl}-2-ethyl-butyronitrile → 2-(4-[3-Cyclopentyl-4-(2,2-dimethyl-6-oxo-6H-[1,3]dioxin-4-yl)-3-hydroxy-butyl]-2-fluoro-phenyl}-2-ethyl-butyronitrile
Reaction equation
[CH:1]1([C:6]([C:7]#[C:8][c:9]2[cH:10][c:11]([F:22])[c:12]([C:15]([C:16]#[N:17])([CH2:18][CH3:19])[CH2:20][CH3:21])[cH:13][cH:14]2)([CH2:23][C:24]2=[CH:29][C:28](=[O:30])[O:27][C:26]([CH3:31])([CH3:32])[O:25]2)[OH:33])[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:34]1([C:35]([OH:36])([CH2:37][C:38]2=[CH:46][C:44](=[O:45])[O:43][C:40]([CH3:41])([CH3:42])[O:39]2)[C:47]#[C:48][c:49]2[cH:50][cH:51][c:52]([C:53]3([C:54]#[N:55])[CH2:56][CH2:57]3)[c:58]([F:59])[cH:60]2)[CH2:61][CH2:62][CH2:63][CH2:64]1>>[CH:1]1([C:6]([CH2:7][CH2:8][c:9]2[cH:10][c:11]([F:22])[c:12]([C:15]([C:16]#[N:17])([CH2:18][CH3:19])[CH2:20][CH3:21])[cH:13][cH:14]2)([CH2:23][C:24]2=[CH:29][C:28](=[O:30])[O:27][C:26]([CH3:31])([CH3:32])[O:25]2)[OH:33])[CH2:2][CH2:3][CH2:4][CH2:5]1Participants
3
Reactant 2
Product 1
Sources & evidence
- ORD record
- ord-d7322314b83a450c9d24d041f53d53e3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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