Hydrochloric Acid → 4-[4-(ethylsulfonyl)phenyl]-5-(tetrahydro-2H-pyran-4-yl)pent-1-en-3-one
Reaction equation
[CH2:1]([CH3:2])[S:3](=[O:4])(=[O:5])[c:6]1[cH:7][cH:8][c:9]([CH:12]([C:13](=[O:14])[OH:15])[CH2:16][CH:17]2[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[cH:10][cH:11]1.[CH3:24][O:25][NH:26][CH3:27].[CH3:29][N:30]([CH2:31][CH2:32][CH2:34][N:35]=[C:36]=[N:37][CH2:38][CH3:39])[CH3:33].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[CH3:56][CH2:57][N:58]([CH2:59][CH3:60])[CH2:61][CH3:62].[ClH:23].[ClH:28].[OH2:55].[OH:40][n:41]1[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[CH2:1]([CH3:2])[S:3](=[O:4])(=[O:5])[c:6]1[cH:7][cH:8][c:9]([CH:12]([C:13](=[O:14])[CH:31]=[CH2:32])[CH2:16][CH:17]2[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[cH:10][cH:11]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-9f740a33b50d4fca9267af2b0dca5a5f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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