Ketohydroxy-Estratriene → Estrone, acetate

Reaction equation

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

Participants

Reactant 4

HCID 698Ketohydroxy-Estratriene

HCID 962Water

HCID 1049Pyridine

HCID 7918Acetic Anhydride

Product 1

HCID 3273Estrone, acetate

Sources & evidence

ORD record: ord-15ddfa64540a4756ad6a5430881ec2eb
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…