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 95584

Reaction equation

HRID 95584 reaction equation
[C:29]([Cl:30])(=[O:31])[CH2:32][CH2:33][C:34]([Cl:35])=[O:36].[C:37]([CH2:38][CH2:39][C:40](=[O:41])[O-:42])(=[O:43])[O-:44].[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].[CH3:46][C:47]#[N:48].[OH:45]>>[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:37]([CH2:38][CH2:39][C:40](=[O:41])[OH:42])=[O:43])[CH2:20][CH2:21][C:22]4([CH3:23])[CH:24]3[CH2:25][CH2:26][C:27]12[CH3:28]

Participants

6

Reactant 5

HCID 304Cholest-5-en-3-olHCID 6342AcetonitrileHCID 10970Succinyl chlorideHCID 157350HydroxylHCID 160419Succinate

Product 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

Sources & evidence

ORD record
ord-5b960580ea054626a6f894ee8abe3e45
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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