Chloride → 5-(4-Fluoro-phenyl)-4-methyl-pent-4-enoic acid ethyl ester

HRID 701842

Reaction equation

HRID 701842 reaction equation
[C:33]([CH2:34][CH2:35][C:36](=[O:37])[CH3:38])(=[O:39])[O:40][CH2:41][CH3:42].[C:49]([O:50][CH2:51][CH3:52])(=[O:53])[CH3:54].[CH3:2][CH2:3][O-:4].[CH3:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48].[CH3:55][CH2:56][OH:57].[Cl-:5].[F:6][c:7]1[cH:8][cH:9][c:10]([CH2:11][P+:12]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:31][cH:32]1.[Na+:1]>>[F:6][c:7]1[cH:8][cH:9][c:10]([CH:11]=[C:36]([CH2:35][CH2:34][C:33](=[O:39])[O:40][CH2:41][CH3:42])[CH3:38])[cH:31][cH:32]1

Participants

9

Reactant 8

HCID 312ChlorideHCID 702EthanolHCID 923Sodium ionHCID 8058HexaneHCID 8857Ethyl AcetateHCID 10883Ethyl levulinateHCID 1194401-Hydroxyethyl radicalHCID 2733555(4-Fluorophenyl)methyl-triphenylphosphanium

Product 1

HCID 685649295-(4-Fluoro-phenyl)-4-methyl-pent-4-enoic acid ethyl ester

Sources & evidence

ORD record
ord-ce9b9c948a6a4296acd06804b2128745
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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