Ethanol → 1-{4-[3-Cyclopentyl-4-(2,2-dimethyl-6-oxo-6H-[1,3]dioxin-4-yl)-3-hydroxy-butyl]-2-fluoro-phenyl}-cyclopropanecarbonitrile

HRID 2311121Notes

Reaction equation

HRID 2311121 reaction equation
[CH3:32][CH2:33][OH:34].[CH:1]1([C:6]([C:7]#[C:8][c:9]2[cH:10][c:11]([F:20])[c:12]([C:15]3([C:18]#[N:19])[CH2:16][CH2:17]3)[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:1]1([C:6]([CH2:7][CH2:8][c:9]2[cH:10][c:11]([F:20])[c:12]([C:15]3([C:18]#[N:19])[CH2:16][CH2:17]3)[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

Participants

3

Reactant 2

HCID 702EthanolHCID 587623341-{4-[3-Cyclopentyl-4-(2,2-dimethyl-6-oxo-6H-[1,3]dioxin-4-yl)-3-hydroxy-but-1-ynyl]-2-fluoro-phenyl}-cyclopropanecarbonitrile

Product 1

HCID 587625831-{4-[3-Cyclopentyl-4-(2,2-dimethyl-6-oxo-6H-[1,3]dioxin-4-yl)-3-hydroxy-butyl]-2-fluoro-phenyl}-cyclopropanecarbonitrile

Sources & evidence

ORD record
ord-58f1bdf2c11340eeaecb0ffc86f106a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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