Ethanol → 7-[4-(3-ethoxypropyl)phenyl]-N-[4-[[N-methyl-N-(tetrahydro-2H-pyran-4-yl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxamide
Reaction equation
[B:33]([O-:34])([O-:47])[O:48][c:35]1[cH:36][cH:37][c:38]([CH2:41][CH2:42][CH2:43][O:44][CH2:45][CH3:46])[cH:39][cH:40]1.[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:32]1)[CH:7]=[C:8]([C:14](=[O:15])[NH:16][c:17]1[cH:18][cH:19][c:20]([CH2:23][N:24]([CH:25]3[CH2:26][CH2:27][O:28][CH2:29][CH2:30]3)[CH3:31])[cH:21][cH:22]1)[CH2:9][CH2:10][S:11]2(=[O:12])=[O:13].[C:49](=[O:50])([O-:51])[O-:52].[CH3:55][CH2:56][OH:57].[CH3:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[K+:53].[K+:54]>>[c:2]1(-[c:35]2[cH:36][cH:37][c:38]([CH2:41][CH2:42][CH2:43][O:44][CH2:45][CH3:46])[cH:39][cH:40]2)[cH:3][cH:4][c:5]2[c:6]([cH:32]1)[CH:7]=[C:8]([C:14](=[O:15])[NH:16][c:17]1[cH:18][cH:19][c:20]([CH2:23][N:24]([CH:25]3[CH2:26][CH2:27][O:28][CH2:29][CH2:30]3)[CH3:31])[cH:21][cH:22]1)[CH2:9][CH2:10][S:11]2(=[O:12])=[O:13]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-6beb2098589444c98c93c46ded7edf86
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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