Toluene → 7-Methyl-9,10-dihydroacephenanthrene

HRID 91415

Reaction equation

HRID 91415 reaction equation
[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[O:19]=[S:20](=[O:21])([OH:22])[CH2:23][C:24]12[CH2:25][CH2:26][CH:27]([C:28]1([CH3:29])[CH3:30])[CH2:31][C:32]2=[O:33].[OH:1][C:2]1([CH3:18])[c:3]2[cH:4][c:5]3[c:17]4[c:8]([cH:9][cH:10][cH:11][c:12]4[c:13]2[CH2:14][CH2:15][CH2:16]1)[CH2:7][CH2:6]3>>[C:2]1([CH3:18])=[CH:16][CH2:15][CH2:14][c:13]2[c:3]1[cH:4][c:5]1[c:17]3[c:8]([cH:9][cH:10][cH:11][c:12]23)[CH2:7][CH2:6]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 8857Ethyl AcetateHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 199374177-Hydroxy-7-methyl-7,8,9,10-tetrahydroacephenanthrene

Product 1

HCID 233640227-Methyl-9,10-dihydroacephenanthrene

Sources & evidence

ORD record
ord-86d7c7e3bc444155b752810cd0c1a091
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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