P-Cresol → 2,3-Dimethoxy-7-[2-(4-methylphenoxy)ethyl]-4,5,6,7,8,9-hexahydro-1H-benzo[a]cycloheptene-1,4-dione
Reaction equation
[CH2:60]1[O:61][CH2:62][CH2:63][CH2:64]1.[CH3:21][c:22]1[cH:23][cH:24][c:25]([OH:26])[cH:27][cH:28]1.[O:48]=[C:49]([O:50][CH2:51][CH3:52])[N:53]=[N:54][C:55]([O:56][CH2:57][CH3:58])=[O:59].[OH:1][CH2:2][CH2:3][CH:4]1[CH2:5][CH2:6][C:7]2=[C:8]([CH2:9][CH2:10]1)[C:11](=[O:20])[C:12]([O:18][CH3:19])=[C:13]([O:16][CH3:17])[C:14]2=[O:15].[c:29]1([P:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[O:1]([CH2:2][CH2:3][CH:4]1[CH2:5][CH2:6][C:7]2=[C:8]([CH2:9][CH2:10]1)[C:11](=[O:20])[C:12]([O:18][CH3:19])=[C:13]([O:16][CH3:17])[C:14]2=[O:15])[c:25]1[cH:24][cH:23][c:22]([CH3:21])[cH:28][cH:27]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-0f272f9083b74bba832e4ca56cf48509
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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