Hydrochloric Acid → 7-(4-Ethylphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxylic acid
Reaction equation
[CH2:1]([CH3:2])[c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]3[c:13]([cH:25]2)[CH:14]=[C:15]([C:21](=[O:22])[O:23][CH3:24])[CH2:16][CH2:17][S:18]3(=[O:19])=[O:20])[cH:7][cH:8]1.[CH3:27][O:28][CH2:29][CH2:30][O:31][CH3:32].[ClH:26]>>[CH2:1]([CH3:2])[c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]3[c:13]([cH:25]2)[CH:14]=[C:15]([C:21](=[O:22])[OH:23])[CH2:16][CH2:17][S:18]3(=[O:19])=[O:20])[cH:7][cH:8]1Participants
4
Sources & evidence
- ORD record
- ord-a9a60e834152410bb62a3cff61c19123
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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