Cholest-5-en-3-ol → 4-[[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxo-butanoic acid

HRID 673572

Reaktionsgleichung

Reaktionsgleichung von HRID 673572
[CH2:37]1[O:38][CH2:39][CH2:40][O:41][CH2:42]1.[CH3:1][CH:2]([CH3:3])[CH2:4][CH2:5][CH2:6][CH:7]([CH3:8])[CH:9]1[CH2:10][CH2:11][CH:12]2[CH:13]3[CH2:14][CH:15]=[C:16]4[CH2:17][CH:18]([OH:19])[CH2:20][CH2:21][C:22]4([CH3:23])[CH:24]3[CH2:25][CH2:26][C:27]12[CH3:28].[CH3:43][N:44]([CH3:45])[c:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1.[ClH:36].[O:29]=[C:30]1[CH2:31][CH2:32][C:33](=[O:34])[O:35]1>>[CH3:1][CH:2]([CH3:3])[CH2:4][CH2:5][CH2:6][CH:7]([CH3:8])[CH:9]1[CH2:10][CH2:11][CH:12]2[CH:13]3[CH2:14][CH:15]=[C:16]4[CH2:17][CH:18]([O:19][C:33]([CH2:32][CH2:31][C:30](=[O:29])[OH:35])=[O:34])[CH2:20][CH2:21][C:22]4([CH3:23])[CH:24]3[CH2:25][CH2:26][C:27]12[CH3:28]

Komponenten

6

Edukt 5

HCID 304Cholest-5-en-3-olHCID 313Hydrochloric AcidHCID 7922Succinic anhydrideHCID 142844-(Dimethylamino)pyridineHCID 312751,4-Dioxane

Produkt 1

HCID 5000554-[[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxo-butanoic acid

Quellen und Nachweise

ORD-Eintrag
ord-3895174656a24671a9a39ab82c52a112
Quelldatensatz
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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