Chloride → HCID 178496525, compound

HRID 158837Notes

Reaction equation

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

Participants

Reactant 3

HCID 312Chloride

HCID 12251Methoxyacetic Acid

HCID 346622811,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

Product 1

HCID 178496525HCID 178496525, compound

Sources & evidence

ORD record: ord-e9f0586b37084b2280596b540d4c35fc
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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