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

HRID 2158967

Reaktionsgleichung

Reaktionsgleichung von HRID 2158967
[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[c:24]([C:37]([CH3:38])([CH3:39])[CH3:40])[cH:25][c:26]([C:33]([CH3:34])([CH3:35])[CH3:36])[cH:27][c:28]2[C:29]([CH3:30])([CH3:31])[CH3:32])[cH:12][cH:13]1)=[O:41])=[O:42].[CH3:51][CH2:52][O:53][CH2:54][CH3:55].[ClH:45].[Na+:44].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH-:43].[OH2:56]>>[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[c:24]([C:37]([CH3:38])([CH3:39])[CH3:40])[cH:25][c:26]([C:33]([CH3:34])([CH3:35])[CH3:36])[cH:27][c:28]2[C:29]([CH3:30])([CH3:31])[CH3:32])[cH:12][cH:13]1)=[O:41])[OH:42]

Komponenten

8

Edukt 7

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 3283Diethyl EtherHCID 8028TetrahydrofuranHCID 67153635Racemic 3-{4-[1-(2,4,6-tri-t-butyl-phenoxy)-5,5,5-trifluoro-pentyl]-benzoylamino}-propionic acid methyl ester

Produkt 1

HCID 67153428Racemic 3-{4-[1-(2,4,6-tri-t-butyl-phenoxy)-5,5,5-trifluoro-pentyl]-benzoylamino}-propionic acid

Quellen und Nachweise

ORD-Eintrag
ord-712cc19fd006489287e177fb301c7d3f
Quelldatensatz
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

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