1-{4-[3-Cyclopentyl-4-(2,2-dimethyl-6-oxo-6H-[1,3]dioxin-4-yl)-3-hydroxy-but-1-ynyl]-2-fluoro-phenyl}-cyclobutanecarbonitrile → 1-{4-[3-Cyclopentyl-4-(2,2-dimethyl-6-oxo-6H-[1,3]dioxin-4-yl)-3-hydroxy-butyl]-2-fluoro-phenyl}-cyclobutanecarbonitrile
Reaction equation
[CH:1]1([C:6]([C:7]#[C:8][c:9]2[cH:10][c:11]([F:21])[c:12]([C:15]3([C:19]#[N:20])[CH2:16][CH2:17][CH2:18]3)[cH:13][cH:14]2)([CH2:22][C:23]2=[CH:28][C:27](=[O:29])[O:26][C:25]([CH3:30])([CH3:31])[O:24]2)[OH:32])[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:33]1([C:34]([OH:35])([CH2:36][C:37]2=[CH:45][C:43](=[O:44])[O:42][C:39]([CH3:40])([CH3:41])[O:38]2)[C:46]#[C:47][c:48]2[cH:49][cH:50][c:51]([C:52]3([C:53]#[N:54])[CH2:55][CH2:56]3)[c:57]([F:58])[cH:59]2)[CH2:60][CH2:61][CH2:62][CH2:63]1>>[CH:1]1([C:6]([CH2:7][CH2:8][c:9]2[cH:10][c:11]([F:21])[c:12]([C:15]3([C:19]#[N:20])[CH2:16][CH2:17][CH2:18]3)[cH:13][cH:14]2)([CH2:22][C:23]2=[CH:28][C:27](=[O:29])[O:26][C:25]([CH3:30])([CH3:31])[O:24]2)[OH:32])[CH2:2][CH2:3][CH2:4][CH2:5]1Participants
3
Reactant 2
Product 1
Sources & evidence
- ORD record
- ord-10b98e0281d045b489a35dd7bba87c29
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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