Sodium ion → 4-{4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoic acid

HRID 1240319

Reaction equation

HRID 1240319 reaction equation
[CH:1]12[CH2:2][CH:3]([OH:4])[CH2:5][CH2:6][C:7]1([CH3:8])[CH:9]1[CH2:10][CH2:11][C:12]3([CH3:13])[CH:14]([CH:22]([CH3:23])[CH2:24][CH2:25][C:26]([OH:27])=[O:28])[CH2:15][CH2:16][CH:17]3[CH:18]1[CH:19]([OH:20])[CH2:21]2.[Na+:30].[OH-:29]>>[CH:1]12[CH2:2][CH:3]([OH:4])[CH2:5][CH2:6][C:7]1([CH3:8])[CH:9]1[CH2:10][CH2:11][C:12]3([CH3:13])[CH:14]([CH:22]([CH3:23])[CH2:24][CH2:25][C:26](=[O:27])[OH:28])[CH2:15][CH2:16][CH:17]3[CH:18]1[CH:19]([OH:20])[CH2:21]2

Participants

4

Reactant 3

HCID 923Sodium ionHCID 961HydroxideHCID 56454-{4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoic acid

Product 1

HCID 56454-{4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoic acid

Sources & evidence

ORD record
ord-b9893c293f4244a28c1a15f8e96ca6c3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Linked notes

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