Chloride → [2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 2-methoxyacetate

HRID 139919Notes

Reaction equation

HRID 139919 reaction equation
[CH3:28][O:29][CH2:30][C:31](=[O:32])[OH:33].[Cl-:27].[OH:1][CH:2]1[CH:3]2[C:4]3([CH3:26])[CH:5]=[CH:6][C:7](=[O:25])[CH:8]=[C:9]3[CH2:10][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.[cH:34]1[cH:35][cH:36][n:37][cH:38][cH:39]1>>[OH:1][CH:2]1[CH:3]2[C:4]3([CH3:26])[CH:5]=[CH:6][C:7](=[O:25])[CH:8]=[C:9]3[CH2:10][CH2:11][CH:12]2[CH:13]2[CH2:14][CH2:15][C:16]([C:17]([CH2:18][O:19][C:31]([CH2:30][O:29][CH3:28])=[O:32])=[O:20])([OH:24])[C:21]2([CH3:23])[CH2:22]1

Participants

5

Reactant 4

HCID 312ChlorideHCID 1049PyridineHCID 489411,17,21-Trihydroxypregna-1,4-diene-3,20-dioneHCID 12251Methoxyacetic Acid

Product 1

HCID 178496524[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 2-methoxyacetate

Sources & evidence

ORD record
ord-ae53a21695de44648582db8227892cb1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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