Sodium ion → Ethyl 3-(3,5-difluorophenyl)propanoate

HRID 194020

Reaction equation

HRID 194020 reaction equation
[CH2:29]([CH2:30][O:31][CH3:32])[O:33][CH3:34].[CH2:3]([O:4][P:5]([O:6][CH2:7][CH3:8])(=[O:9])[CH2:11][C:12](=[O:13])[O:14][CH2:15][CH3:16])[CH3:10].[CH3:35][O:36][CH:37]([O:38][CH3:39])[CH3:40].[F:19][c:20]1[cH:21][c:22]([CH:23]=[O:24])[cH:25][c:26]([F:28])[cH:27]1.[H-:1].[H:17][H:18].[Na+:2].[OH2:41]>>[CH2:11]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[CH2:23][c:22]1[cH:21][c:20]([F:19])[cH:27][c:26]([F:28])[cH:25]1

Participants

9

Reactant 8

HCID 923Sodium ionHCID 962WaterHCID 80711,2-DimethoxyethaneHCID 107951,1-DimethoxyethaneHCID 13345Triethyl phosphonoacetateHCID 166653HydrideHCID 5881603,5-DifluorobenzaldehydeHCID 178418361HCID 178418361, compound

Product 1

HCID 15209345Ethyl 3-(3,5-difluorophenyl)propanoate

Sources & evidence

ORD record
ord-e7a7417a56f34aeda0273fe5b770a1c9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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