Methanol → 17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one

HRID 700483Notes

Reaction equation

[C:1](=[O:2])([CH3:3])[O:4][CH2:5][C:6]([C:7]1([OH:27])[CH2:8][CH2:9][CH:10]2[CH:11]3[CH2:12][CH2:13][C:14]4=[CH:15][C:16](=[O:26])[CH2:17][CH2:18][C:19]4([CH3:20])[C:21]3=[CH:22][CH2:23][C:24]12[CH3:25])=[O:28].[CH2:32]([Cl:33])[Cl:34].[CH3:29][OH:30].[OH2:31]>>[OH:4][CH2:5][C:6]([C:7]1([OH:27])[CH2:8][CH2:9][CH:10]2[CH:11]3[CH2:12][CH2:13][C:14]4=[CH:15][C:16](=[O:26])[CH2:17][CH2:18][C:19]4([CH3:20])[C:21]3=[CH:22][CH2:23][C:24]12[CH3:25])=[O:28]

Participants

Reactant 4

HCID 887Methanol

HCID 962Water

HCID 6344Dichloromethane

HCID 536715Prednisolone, 1,2-dihydro-9,11-dedihydro-11-desoxy-, 21-acetate(ester)

Product 1

HCID 62522817-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one

Sources & evidence

ORD record: ord-45744c9624754737902bd3ef58bff368
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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