Sodium ion → 17-(furan-3-yl)-10,13-dimethyl-3-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-14-ol

HRID 666145Notes

Reaction equation

HRID 666145 reaction equation
[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[H-:2].[Na+:1].[OH2:50].[OH:3][CH2:4][CH2:5][N:6]1[CH2:7][CH2:8][CH2:9][CH2:10]1.[S:11]([O:12][CH2:22][CH2:23][O:24][CH:25]1[CH2:26][CH:27]2[CH2:28][CH2:29][CH:30]3[C:31]4([OH:49])[CH2:32][CH2:33][CH:34]([c:44]5[cH:45][o:46][cH:47][cH:48]5)[C:35]4([CH3:36])[CH2:37][CH2:38][CH:39]3[C:40]2([CH3:43])[CH2:41][CH2:42]1)([c:13]1[cH:14][cH:15][c:16]([CH3:17])[cH:18][cH:19]1)(=[O:20])=[O:21]>>[O:3]([CH2:4][CH2:5][N:6]1[CH2:7][CH2:8][CH2:9][CH2:10]1)[CH2:22][CH2:23][O:24][CH:25]1[CH2:26][CH:27]2[CH2:28][CH2:29][CH:30]3[C:31]4([OH:49])[CH2:32][CH2:33][CH:34]([c:44]5[cH:45][o:46][cH:47][cH:48]5)[C:35]4([CH3:36])[CH2:37][CH2:38][CH:39]3[C:40]2([CH3:43])[CH2:41][CH2:42]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 762881-PyrrolidineethanolHCID 166653HydrideHCID 178427772HCID 178427772, compound

Product 1

HCID 17842139217-(furan-3-yl)-10,13-dimethyl-3-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-14-ol

Sources & evidence

ORD record
ord-b331a1327d194658981e0fada16171ac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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