Acetic Acid → Cioteronel

HRID 152216Notes

Reaction equation

HRID 152216 reaction equation
[CH3:22][C:23](=[O:24])[OH:25].[Cl:1][C:2]1([Cl:20])[CH:3]2[CH2:4][CH2:5][CH:6]([CH2:11][CH2:12][CH2:13][CH2:14][CH:15]([CH2:16][CH3:17])[O:18][CH3:19])[CH:7]2[CH2:8][C:9]1=[O:10].[Zn:21]>>[CH2:2]1[CH:3]2[CH2:4][CH2:5][CH:6]([CH2:11][CH2:12][CH2:13][CH2:14][CH:15]([CH2:16][CH3:17])[O:18][CH3:19])[CH:7]2[CH2:8][C:9]1=[O:10]

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 23994ZincHCID 139240476,6-Dichloro-2-(5-methoxyhept-1-yl)bicyclo[3.3.0]octan-7-one

Product 1

HCID 55994Cioteronel

Sources & evidence

ORD record
ord-93f9e609beab4c41a44789cede6ba77d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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