Ethanol → 9-Fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

HRID 167680

Reaction equation

HRID 167680 reaction equation
[CH3:31][CH2:32][O:33][C:34]([CH3:35])=[O:36].[CH3:37][CH2:38][OH:39].[CH:1]12[CH2:2][CH:3]([CH3:4])[C:5]([OH:6])([C:7](=[O:8])[CH2:9][OH:10])[C:11]1([CH3:12])[CH2:13][CH:14]([OH:15])[C:16]1([F:17])[CH:18]2[CH2:19][CH2:20][C:21]2=[CH:22][C:23](=[O:24])[CH:25]=[CH:26][C:27]12[CH3:28].[Cl:40][CH2:41][Cl:42].[H:29][H:30]>>[CH:1]12[CH2:2][CH:3]([CH3:4])[C:5]([OH:6])([C:7](=[O:8])[CH2:9][OH:10])[C:11]1([CH3:12])[CH2:13][CH:14]([OH:15])[C:16]1([F:17])[CH:18]2[CH2:19][CH2:20][C:21]2=[CH:22][C:23](=[O:24])[CH2:25][CH2:26][C:27]12[CH3:28]

Participants

6

Reactant 5

HCID 702EthanolHCID 3003CelestoneHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 178418361HCID 178418361, compound

Product 1

HCID 205750899-Fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

Sources & evidence

ORD record
ord-382d239a8ac34b3d852780025d44267d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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