Bicarbonate Ion → 17-(2-hydroxyacetyl)-10,13-dimethyl-2,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-dione

HRID 294525Notes

Reaction equation

HRID 294525 reaction equation
[C:1](=[O:2])([CH3:3])[O:4][CH2:5][C:6]([CH:7]1[CH2:8][CH2:9][CH:10]2[CH:11]3[CH2:12][CH2:13][CH:14]4[CH2:15][C:16](=[O:27])[CH2:17][CH2:18][C:19]4([CH3:20])[CH:21]3[C:22](=[O:26])[CH2:23][C:24]12[CH3:25])=[O:28].[C:29](=[O:30])([OH:31])[O-:32].[CH3:34][OH:35].[K+:33].[OH2:36]>>[OH:4][CH2:5][C:6]([CH:7]1[CH2:8][CH2:9][CH:10]2[CH:11]3[CH2:12][CH2:13][CH:14]4[CH2:15][C:16](=[O:27])[CH2:17][CH2:18][C:19]4([CH3:20])[CH:21]3[C:22](=[O:26])[CH2:23][C:24]12[CH3:25])=[O:28]

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 813Potassium CationHCID 887MethanolHCID 962WaterHCID 178476409HCID 178476409, compound

Product 1

HCID 366185517-(2-hydroxyacetyl)-10,13-dimethyl-2,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-dione

Sources & evidence

ORD record
ord-5ec3f01b225d4fa0ab9955ef13d49e30
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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