Hydrochloric Acid → 7-(4-Propylphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxylic acid
Reaction equation
[CH2:1]([CH2:2][CH3:3])[c:4]1[cH:5][cH:6][c:7](-[c:10]2[cH:11][cH:12][c:13]3[c:14]([cH:26]2)[CH:15]=[C:16]([C:22](=[O:23])[O:24][CH3:25])[CH2:17][CH2:18][S:19]3(=[O:20])=[O:21])[cH:8][cH:9]1.[CH3:28][O:29][CH2:30][CH2:31][O:32][CH3:33].[ClH:27]>>[CH2:1]([CH2:2][CH3:3])[c:4]1[cH:5][cH:6][c:7](-[c:10]2[cH:11][cH:12][c:13]3[c:14]([cH:26]2)[CH:15]=[C:16]([C:22](=[O:23])[OH:24])[CH2:17][CH2:18][S:19]3(=[O:20])=[O:21])[cH:8][cH:9]1Participants
4
Sources & evidence
- ORD record
- ord-b11642c6248e41aba4b39cd7845a9cbc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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