Hydrochloric Acid → 7-[4-(2-Propoxyethoxy)phenyl]-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxylic acid
Reaction equation
[CH2:1]([CH2:2][CH3:3])[O:4][CH2:5][CH2:6][O:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[cH:15][cH:16][c:17]3[c:18]([cH:30]2)[CH:19]=[C:20]([C:26](=[O:27])[O:28][CH3:29])[CH2:21][CH2:22][S:23]3(=[O:24])=[O:25])[cH:12][cH:13]1.[CH3:32][O:33][CH2:34][CH2:35][O:36][CH3:37].[ClH:31]>>[CH2:1]([CH2:2][CH3:3])[O:4][CH2:5][CH2:6][O:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[cH:15][cH:16][c:17]3[c:18]([cH:30]2)[CH:19]=[C:20]([C:26](=[O:27])[OH:28])[CH2:21][CH2:22][S:23]3(=[O:24])=[O:25])[cH:12][cH:13]1Participants
4
Sources & evidence
- ORD record
- ord-b1f9dfaf17804fbdabcccd1b115fc311
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
- DOI