Sodium ion → 11-[4-(2-iodoethyl)phenyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

HRID 202216Notes

Reaction equation

HRID 202216 reaction equation
[CH2:33]([C:34]([CH3:35])=[O:36])[CH3:37].[Cl:1][CH2:2][CH2:3][c:4]1[cH:5][cH:6][c:7]([CH:10]2[CH:11]3[c:12]4[cH:13][cH:14][c:15]([OH:29])[cH:16][c:17]4[CH2:18][CH2:19][CH:20]3[CH:21]3[CH2:22][CH2:23][CH:24]([OH:28])[C:25]3([CH3:26])[CH2:27]2)[cH:8][cH:9]1.[I-:31].[Na+:30].[OH2:32]>>[CH2:2]([CH2:3][c:4]1[cH:5][cH:6][c:7]([CH:10]2[CH:11]3[c:12]4[cH:13][cH:14][c:15]([OH:29])[cH:16][c:17]4[CH2:18][CH2:19][CH:20]3[CH:21]3[CH2:22][CH2:23][CH:24]([OH:28])[C:25]3([CH3:26])[CH2:27]2)[cH:8][cH:9]1)[I:31]

Participants

6

Reactant 5

HCID 923Sodium ionHCID 962WaterHCID 6569Methyl Ethyl KetoneHCID 30165Iodide IonHCID 178421126HCID 178421126, compound

Product 1

HCID 17842112911-[4-(2-iodoethyl)phenyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

Sources & evidence

ORD record
ord-c7543e16c7bd4112b159578c564fe20d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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