3-Iodophenol → 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

HRID 1140851Notes

Reaction equation

HRID 1140851 reaction equation
[Br:1][c:2]1[cH:3][c:4]([F:13])[c:5]([C:8]2([C:11]#[N:12])[CH2:9][CH2:10]2)[cH:6][cH:7]1.[CH:22]1([C:27]([CH2:28][C:29]2=[CH:30][C:31](=[O:37])[O:32][C:33]([CH3:35])([CH3:36])[O:34]2)([C:38]#[C:39][Si:40]([CH3:41])([CH3:42])[CH3:43])[OH:44])[CH2:23][CH2:24][CH2:25][CH2:26]1.[OH:14][c:15]1[cH:16][c:17]([I:18])[cH:19][cH:20][cH:21]1>>[c:2]1([C:39]#[C:38][C:27]([CH:22]2[CH2:23][CH2:24][CH2:25][CH2:26]2)([CH2:28][C:29]2=[CH:30][C:31](=[O:37])[O:32][C:33]([CH3:35])([CH3:36])[O:34]2)[OH:44])[cH:3][c:4]([F:13])[c:5]([C:8]2([C:11]#[N:12])[CH2:9][CH2:10]2)[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 122723-IodophenolHCID 224997936-(2-Cyclopentyl-2-hydroxy-4-trimethylsilanyl-but-3-ynyl)-2,2-dimethyl-[1,3]dioxin-4-oneHCID 587623291-(4-Bromo-2-fluorophenyl)cyclopropane-1-carbonitrile

Product 1

HCID 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

Sources & evidence

ORD record
ord-b746626964fc41e4a0c0aeaab7a82a53
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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