Sodium ion → 20-Oxopregnane-3,12-diyl diacetate

HRID 112820Notes

Reaction equation

HRID 112820 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][CH2:13][CH:14]([C:28]([CH2:29][CH:30]=[C:31]([c:32]5[cH:33][cH:34][cH:35][cH:36][cH:37]5)[c:38]5[cH:39][cH:40][cH:41][cH:42][cH:43]5)=[CH2:44])[C:15]4([CH3:16])[CH:17]([O:24][C:25]([CH3:26])=[O:27])[CH2:18][CH:19]3[C:20]2([CH3:23])[CH2:21][CH2:22]1.[C:51]([Cl:52])([Cl:53])([Cl:54])[Cl:55].[CH2:60]([Cl:61])[Cl:62].[CH3:56][C:57]#[N:58].[I+3:45]([O-:46])([O-:47])([O-:48])[O-:49].[Na+:50].[OH2:59].[OH2:63].[Ru:64]([Cl:65])([Cl:66])[Cl:67]>>[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][CH2:13][CH:14]([C:28]([CH3:44])=[O:46])[C:15]4([CH3:16])[CH:17]([O:24][C:25]([CH3:26])=[O:27])[CH2:18][CH:19]3[C:20]2([CH3:23])[CH2:21][CH2:22]1

Participants

9

Reactant 8

HCID 923Sodium ionHCID 962Water2×HCID 5943Carbon TetrachlorideHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 61850Ruthenium trichlorideHCID 167232PeriodateHCID 178442102HCID 178442102, compound

Product 1

HCID 24773120-Oxopregnane-3,12-diyl diacetate

Sources & evidence

ORD record
ord-aca6c23d1928471c9b13fa641e6b47d7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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