Ethanol → 4-[1-(4-methylphenylsulfonyl)piperidin-4-yl]-6,7-dihydro-5H-benzocycloheptene-8-carboxylic acid
Reaction equation
[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]2[CH2:12][CH2:13][CH:14]([c:17]3[cH:18][cH:19][cH:20][c:21]4[c:27]3[CH2:26][CH2:25][CH2:24][C:23]([C:28](=[O:29])[O:30][CH3:31])=[CH:22]4)[CH2:15][CH2:16]2)[cH:6][cH:7]1.[CH3:34][CH2:35][OH:36].[Na+:33].[OH-:32]>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]2[CH2:12][CH2:13][CH:14]([c:17]3[cH:18][cH:19][cH:20][c:21]4[c:27]3[CH2:26][CH2:25][CH2:24][C:23]([C:28](=[O:29])[OH:30])=[CH:22]4)[CH2:15][CH2:16]2)[cH:6][cH:7]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-7ba0dd17ea17487697fb84709fea6b3c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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