Bicarbonate Ion → 5-Hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-15-one

HRID 199257Notes

Reaction equation

HRID 199257 reaction equation
[Cl:44][CH2:45][Cl:46].[Na+:37].[Na+:38].[Na+:43].[O-:39][C:40]([OH:41])=[O:42].[OH:1][CH:2]1[CH:3]=[C:4]2[CH2:5][CH2:6][CH:7]3[CH:8]4[CH2:9][CH2:10][C:11](=[O:21])[C:12]4([CH3:13])[CH2:14][CH2:15][CH:16]3[C:17]2([CH3:20])[CH2:18][CH2:19]1.[OH:22][O:23][C:24]([c:25]1[cH:26][c:27]([Cl:28])[cH:29][cH:30][cH:31]1)=[O:32].[S:33]([O-:34])([O-:35])=[O:36]>>[OH:1][CH:2]1[CH2:3][C:4]23[CH:5]([CH2:6][CH:7]4[CH:8]5[CH2:9][CH2:10][C:11](=[O:21])[C:12]5([CH3:13])[CH2:14][CH2:15][CH:16]4[C:17]2([CH3:20])[CH2:18][CH2:19]1)[O:22]3

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 1099SulfiteHCID 6344DichloromethaneHCID 70297m-Chloroperbenzoic acidHCID 5217973-Hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

Product 1

HCID 37171705-Hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-15-one

Sources & evidence

ORD record
ord-5315621f960c4b70a61aea0c354378a3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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