Chloride → 5-methyl-5-[5-(methylsulfanyl)pyridin-2-yl]-1-(pyridin-2-yl)-6-(tetrahydro-2H-pyran-4-yl)hexane-1,4-dione
Reaction equation
[CH2:39]([n+:40]1[c:41]([CH3:42])[c:43]([CH2:44][CH2:45][OH:46])[s:47][cH:48]1)[c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[CH3:1][C:2]([C:3]([CH:4]=[CH2:5])=[O:6])([CH2:7][CH:8]1[CH2:9][CH2:10][O:11][CH2:12][CH2:13]1)[c:14]1[n:15][cH:16][c:17]([S:20][CH3:21])[cH:18][cH:19]1.[CH3:22][CH2:23][OH:24].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[CH3:61][CH2:62][N:63]([CH2:64][CH3:65])[CH2:66][CH3:67].[Cl-:38].[O:25]1[CH2:26][CH2:27][CH2:28][CH2:29]1.[n:30]1[c:31]([CH:36]=[O:37])[cH:32][cH:33][cH:34][cH:35]1>>[CH3:1][C:2]([C:3]([CH2:4][CH2:5][C:36]([c:31]1[n:30][cH:35][cH:34][cH:33][cH:32]1)=[O:37])=[O:6])([CH2:7][CH:8]1[CH2:9][CH2:10][O:11][CH2:12][CH2:13]1)[c:14]1[n:15][cH:16][c:17]([S:20][CH3:21])[cH:18][cH:19]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-04cd354d42b54a498a26ba158be3240f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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