Potassium Cation → (5-Chloro-2-{2-[4-(4-fluoro-benzyl)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-phenyl)-acetic Acid Ethyl Ester

HRID 201753Notes

Reaction equation

HRID 201753 reaction equation
[C:35](=[O:36])([O-:37])[O-:38].[CH2:21]([CH3:22])[O:23][C:24]([CH2:25][c:26]1[c:27]([OH:33])[cH:28][cH:29][c:30]([Cl:32])[cH:31]1)=[O:34].[CH3:43][C:44](=[O:45])[CH2:46][CH3:47].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[Cl:1][CH2:2][C:3](=[O:4])[N:5]1[CH:6]([CH3:20])[CH2:7][N:8]([CH2:12][c:13]2[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]2)[CH:9]([CH3:11])[CH2:10]1.[I-:42].[K+:39].[K+:40].[K+:41]>>[CH2:2]([C:3](=[O:4])[N:5]1[CH:6]([CH3:20])[CH2:7][N:8]([CH2:12][c:13]2[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]2)[CH:9]([CH3:11])[CH2:10]1)[O:33][c:27]1[c:26]([CH2:25][C:24]([O:23][CH2:21][CH3:22])=[O:34])[cH:31][c:30]([Cl:32])[cH:29][cH:28]1

Participants

8

Reactant 7

HCID 813Potassium Cation3×HCID 6569Methyl Ethyl KetoneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 30165Iodide IonHCID 219732762-Chloro-1-[4-(4-fluoro-benzyl)-2,5-dimethyl-piperazin-1-yl]-ethanoneHCID 69655607Ethyl (5-chloro-2-hydroxyphenyl)acetate

Product 1

HCID 69719135(5-Chloro-2-{2-[4-(4-fluoro-benzyl)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-phenyl)-acetic Acid Ethyl Ester

Sources & evidence

ORD record
ord-c7574c6213ec47b19d669d4f672b378f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…