Toluene → 10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-3,17-dione

HRID 697516Notes

Reaction equation

HRID 697516 reaction equation
[CH3:1][C:2]12[C:3](=[O:21])[CH2:4][CH2:5][CH:6]1[CH:7]1[CH:8]=[CH:9][C:10]3=[CH:11][C:12](=[O:20])[CH2:13][CH2:14][C:15]3([CH3:16])[CH:17]1[CH2:18][CH2:19]2.[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[Cl:22][C:23]1=[C:34]([Cl:35])[C:32](=[O:33])[C:29]([C:30]#[N:31])=[C:26]([C:27]#[N:28])[C:24]1=[O:25]>>[CH3:1][C:2]12[C:3](=[O:21])[CH2:4][CH2:5][CH:6]1[CH:7]1[CH:8]=[CH:9][C:10]3=[CH:11][C:12](=[O:20])[CH:13]=[CH:14][C:15]3([CH3:16])[CH:17]1[CH2:18][CH2:19]2

Participants

5

Reactant 4

HCID 1140TolueneHCID 67752,3-Dichloro-5,6-dicyano-1,4-benzoquinoneHCID 8857Ethyl AcetateHCID 5861124,6-Androstadien-3,17-dione

Product 1

HCID 62471310,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-3,17-dione

Sources & evidence

ORD record
ord-c40d30f9968445f39ee409dc6438cc0f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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