Sodium ion → Ethyl 3-(4-((4-chloro-3-ethylphenyl)oxy)phenyl)-3-oxo-2-((3-((1,1,2,2-tetrafluoroethyl)oxy)phenyl)methyl)propionate

HRID 154784Notes

Reaction equation

HRID 154784 reaction equation
[CH3:43][O:44][CH2:45][CH2:46][O:47][CH3:48].[Cl:1][c:2]1[c:3]([CH2:23][CH3:24])[cH:4][c:5]([O:8][c:9]2[cH:10][cH:11][c:12]([C:15]([CH2:16][C:17](=[O:18])[O:19][CH2:20][CH3:21])=[O:22])[cH:13][cH:14]2)[cH:6][cH:7]1.[F:27][C:28]([CH:29]([F:30])[F:31])([O:32][c:33]1[cH:34][c:35]([CH2:39][Br:40])[cH:36][cH:37][cH:38]1)[F:41].[H-:25].[Na+:26].[OH2:42]>>[Cl:1][c:2]1[c:3]([CH2:23][CH3:24])[cH:4][c:5]([O:8][c:9]2[cH:10][cH:11][c:12]([C:15]([CH:16]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[CH2:39][c:35]3[cH:34][c:33]([O:32][C:28]([F:27])([CH:29]([F:30])[F:31])[F:41])[cH:38][cH:37][cH:36]3)=[O:22])[cH:13][cH:14]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 80711,2-DimethoxyethaneHCID 166653HydrideHCID 114603781-(Bromomethyl)-3-(1,1,2,2-tetrafluoroethoxy)benzeneHCID 22262157Ethyl 3-(4-((4-chloro-3-ethylphenyl)oxy)phenyl)-3-oxopropionate

Product 1

HCID 22261529Ethyl 3-(4-((4-chloro-3-ethylphenyl)oxy)phenyl)-3-oxo-2-((3-((1,1,2,2-tetrafluoroethyl)oxy)phenyl)methyl)propionate

Sources & evidence

ORD record
ord-b9db1a4162cd4022af1bc9e46d797266
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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