Ammonium → 2-((1R,4r)-4-(4-chlorophenyl)cyclohexyl)naphthalene-1,4-dione
Reaction equation
[Ag+:49].[CH3:17][C:18]#[N:19].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[CH2:9][CH2:10][CH:11]([C:14]([OH:15])=[O:16])[CH2:12][CH2:13]2)[cH:6][cH:7]1.[N+:45]([O-:46])([O-:47])=[O:48].[NH4+:42].[NH4+:43].[O:20]=[C:21]1[CH:22]=[CH:23][C:24](=[O:25])[c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]21.[OH2:44].[S:32]([O:33][O:34][S:35]([O-:36])(=[O:37])=[O:38])([O-:39])(=[O:40])=[O:41]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[CH2:9][CH2:10][CH:11]([C:14]3=[CH:22][C:21](=[O:20])[c:31]4[c:26]([cH:27][cH:28][cH:29][cH:30]4)[C:24]3=[O:25])[CH2:12][CH2:13]2)[cH:6][cH:7]1Participants
9
Sources & evidence
- ORD record
- ord-633a568b086943f9957bbb3cc265594a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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