Dimethylformamide → 3-[1-(4-methylphenylsulfonyl)piperidin-4-yl]-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one
Reaction equation
[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]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][c:20]([CH2:23][CH2:24][CH2:25][CH2:26][C:27](=[O:28])[OH:29])[cH:21][cH:22]3)[CH2:15][CH2:16]2)[cH:6][cH:7]1.[Cl:30][C:31]([C:32]([Cl:33])=[O:34])=[O:35].[O:36]=[CH:37][N:38]([CH3:39])[CH3:40]>>[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][c:20]4[c:21]([cH:22]3)[C:27](=[O:28])[CH2:26][CH2:25][CH2:24][CH2:23]4)[CH2:15][CH2:16]2)[cH:6][cH:7]1Participants
5
Sources & evidence
- ORD record
- ord-a504e989603845a4b637e36bce9988f4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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