Ethanol → N-[4-[[N-methyl-N-(tetrahydropyran-4-yl)amino]methyl]phenyl]-7-[4-(2-pentyloxyethoxy)phenyl]-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxamide
Reaction equation
[B:44]([O-:45])([O-:61])[O:62][c:46]1[cH:47][cH:48][c:49]([O:52][CH2:53][CH2:54][O:55][CH2:56][CH2:57][CH2:58][CH2:59][CH3:60])[cH:50][cH:51]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:63](=[O:64])([O-:65])[O-:66].[CH2:34]([OH:35])[CH3:36].[K+:67].[K+:68].[OH2:33].[OH2:69].[c:37]1([CH3:38])[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[c:2]1(-[c:46]2[cH:47][cH:48][c:49]([O:52][CH2:53][CH2:54][O:55][CH2:56][CH2:57][CH2:58][CH2:59][CH3:60])[cH:50][cH:51]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
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-309a345f5f6a40fe86c6dcca4808fe79
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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