Sodium ion → (17-acetyl-9-fluoro-17-hydroxy-10,13,16-trimethyl-2,3,4,5,6,7,8,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate

HRID 310357Notes

Reaction equation

HRID 310357 reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH2:6][CH:7]2[CH2:8][CH2:9][CH:10]3[CH:11]4[CH2:12][CH:13]([CH3:28])[C:14]([C:15]([CH3:16])=[O:17])([OH:27])[C:18]4([CH3:26])[CH2:19][CH2:20][CH:21]3[C:22]2([CH3:25])[CH2:23][CH2:24]1.[CH3:29][C:30]([O:31][C:32](=[O:33])[CH3:34])=[O:35].[CH:63]([Cl:64])([Cl:65])[Cl:66].[F:36][C:37]([F:38])([F:39])[C:40]([O-:41])=[O:42].[F:44].[F:58][C:59]([Cl:60])([Cl:61])[Cl:62].[Na+:43].[Na+:50].[Na+:51].[S:45]([O-:46])([O-:47])(=[O:48])=[S:49].[cH:52]1[cH:53][cH:54][n:55][cH:56][cH:57]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH2:6][CH:7]2[CH2:8][CH2:9][CH:10]3[CH:11]4[CH2:12][CH:13]([CH3:28])[C:14]([C:15]([CH3:16])=[O:17])([OH:27])[C:18]4([CH3:26])[CH2:19][CH2:20][C:21]3([F:36])[C:22]2([CH3:25])[CH2:23][CH2:24]1

Participants

10

Reactant 9

HCID 923Sodium ion3×HCID 1049PyridineHCID 1084Thiosulfate ionHCID 6212ChloroformHCID 6389TrichlorofluoromethaneHCID 7918Acetic AnhydrideHCID 14917Hydrofluoric AcidHCID 84468TrifluoroacetateHCID 178475307(17-acetyl-17-hydroxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl) acetate

Product 1

HCID 178475340(17-acetyl-9-fluoro-17-hydroxy-10,13,16-trimethyl-2,3,4,5,6,7,8,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate

Sources & evidence

ORD record
ord-1c424f169ce948d6b9d32dfc1e894948
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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