Hydrochloric Acid → 7-(3,4-Methylenedioxyphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylic acid
Reaction equation
[CH2:1]1[O:2][c:3]2[cH:4][c:5](-[c:10]3[cH:11][cH:12][c:13]4[c:14]([cH:24]3)[CH:15]=[C:16]([C:20](=[O:21])[O:22][CH3:23])[CH2:17][CH2:18][S:19]4)[cH:6][cH:7][c:8]2[O:9]1.[CH2:30]1[O:31][CH2:32][CH2:33][CH2:34]1.[CH3:27][CH2:28][OH:29].[ClH:35].[Na+:26].[OH-:25]>>[CH2:1]1[O:2][c:3]2[cH:4][c:5](-[c:10]3[cH:11][cH:12][c:13]4[c:14]([cH:24]3)[CH:15]=[C:16]([C:20](=[O:21])[OH:22])[CH2:17][CH2:18][S:19]4)[cH:6][cH:7][c:8]2[O:9]1Participants
7
Sources & evidence
- ORD record
- ord-98cc71ace4d74582a388147bc429e8df
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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