1-{4-[3-Cyclopentyl-4-(2,2-dimethyl-6-oxo-6H-[1,3]dioxin-4-yl)-3-hydroxy-but-1-ynyl]-2-fluoro-phenyl}-cyclopropanecarbonitrile → 2-{4-[3-Cyclopentyl-4-(2,2-dimethyl-6-oxo-6H-[1,3]dioxin-4-yl)-3-hydroxy-butyl]-2-fluoro-phenyl}-2-methyl-propionitrile
Reaction equation
[CH:1]1([C:6]([C:7]#[C:8][c:9]2[cH:10][c:11]([F:20])[c:12]([C:15]([C:16]#[N:17])([CH3:18])[CH3:19])[cH:13][cH:14]2)([CH2:21][C:22]2=[CH:27][C:26](=[O:28])[O:25][C:24]([CH3:29])([CH3:30])[O:23]2)[OH:31])[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:32]1([C:33]([OH:34])([CH2:35][C:36]2=[CH:44][C:42](=[O:43])[O:41][C:38]([CH3:39])([CH3:40])[O:37]2)[C:45]#[C:46][c:47]2[cH:48][cH:49][c:50]([C:51]3([C:52]#[N:53])[CH2:54][CH2:55]3)[c:56]([F:57])[cH:58]2)[CH2:59][CH2:60][CH2:61][CH2:62]1>>[CH:1]1([C:6]([CH2:7][CH2:8][c:9]2[cH:10][c:11]([F:20])[c:12]([C:15]([C:16]#[N:17])([CH3:18])[CH3:19])[cH:13][cH:14]2)([CH2:21][C:22]2=[CH:27][C:26](=[O:28])[O:25][C:24]([CH3:29])([CH3:30])[O:23]2)[OH:31])[CH2:2][CH2:3][CH2:4][CH2:5]1Participants
3
Reactant 2
Product 1
Sources & evidence
- ORD record
- ord-4a88dce00bff4e64be2af9f3afdb8a5c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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