Potassium Cation → Racemic 3-{4-[1-(2,4,6-tri-t-butyl-phenoxy)-5,5,5-trifluoro-pentyl]-benzoylamino}-propionic acid methyl ester

HRID 1547753

Reaktionsgleichung

Reaktionsgleichung von HRID 1547753
[Br:40][c:41]1[c:42]([C:55]([CH3:56])([CH3:57])[CH3:58])[cH:43][c:44]([C:51]([CH3:52])([CH3:53])[CH3:54])[cH:45][c:46]1[C:47]([CH3:48])([CH3:49])[CH3:50].[CH3:1][O:2][C:3]([CH2:4][CH2:5][NH:6][C:7]([c:8]1[cH:9][cH:10][c:11]([CH:14]([CH2:15][CH2:16][CH2:17][C:18]([F:19])([F:20])[F:21])[O:22][c:23]2[cH:24][cH:25][c:26]([B:27]3[O:28][C:29]([CH3:30])([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35]3)[cH:36][cH:37]2)[cH:12][cH:13]1)=[O:38])=[O:39].[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[F-:59].[K+:60]>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][NH:6][C:7]([c:8]1[cH:9][cH:10][c:11]([CH:14]([CH2:15][CH2:16][CH2:17][C:18]([F:19])([F:20])[F:21])[O:22][c:41]2[c:42]([C:55]([CH3:56])([CH3:57])[CH3:58])[cH:43][c:44]([C:51]([CH3:52])([CH3:53])[CH3:54])[cH:45][c:46]2[C:47]([CH3:48])([CH3:49])[CH3:50])[cH:12][cH:13]1)=[O:38])=[O:39]

Komponenten

6

Edukt 5

HCID 813Potassium CationHCID 1140TolueneHCID 28179Fluoride IonHCID 1380892,4,6-Tri-t-butyl-1-bromobenzeneHCID 671534183-(4-{5,5,5-Trifluoro-1-[4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)-phenoxy]-pentyl}-benzoylamino)-propionic acid methyl ester

Produkt 1

HCID 67153635Racemic 3-{4-[1-(2,4,6-tri-t-butyl-phenoxy)-5,5,5-trifluoro-pentyl]-benzoylamino}-propionic acid methyl ester

Quellen und Nachweise

ORD-Eintrag
ord-0ba2afa2a172429db79a321ac2b9f264
Quelldatensatz
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Verknüpfte Notizen

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