Chloride → 5-[1-methyl-5-(methylsulfanyl)-1H-pyrazol-3-yl]-6-(tetrahydro-2H-pyran-4-yl)-1-{5-[(tetrahydro-2H-pyran-2-yloxy)methyl]-1,3-thiazol-2-yl}hexane-1,4-dione
Reaction equation
[CH2:49]([n+:50]1[c:51]([CH3:52])[c:53]([CH2:54][CH2:55][OH:56])[s:57][cH:58]1)[c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[CH3:1][n:2]1[n:3][c:4]([CH:9]([C:10]([CH:11]=[CH2:12])=[O:13])[CH2:14][CH:15]2[CH2:16][CH2:17][O:18][CH2:19][CH2:20]2)[cH:5][c:6]1[S:7][CH3:8].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:65][CH2:66][OH:67].[Cl-:48].[O:21]1[CH:22]([O:27][CH2:28][c:29]2[cH:30][n:31][c:32]([CH:34]=[O:35])[s:33]2)[CH2:23][CH2:24][CH2:25][CH2:26]1.[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1>>[CH3:1][n:2]1[n:3][c:4]([CH:9]([C:10]([CH2:11][CH2:12][C:34]([c:32]2[n:31][cH:30][c:29]([CH2:28][O:27][CH:22]3[O:21][CH2:26][CH2:25][CH2:24][CH2:23]3)[s:33]2)=[O:35])=[O:13])[CH2:14][CH:15]2[CH2:16][CH2:17][O:18][CH2:19][CH2:20]2)[cH:5][c:6]1[S:7][CH3:8]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-63493c7bf8bd449f976af545bbf249d2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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