Water → N-[4-[N-methyl-N-(tetrahydropyran-4-yl)aminomethyl]phenyl]-7-[4-(2-propoxyethoxy)phenyl]-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxamide
Reaction equation
[CH2:1]([CH2:2][CH3:3])[O:4][CH2:5][CH2:6][O:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[cH:15][cH:16][c:17]3[c:18]([cH:29]2)[CH:19]=[C:20]([C:26](=[O:27])[OH:28])[CH2:21][CH2:22][S:23]3(=[O:24])=[O:25])[cH:12][cH:13]1.[CH2:58]1[O:59][CH2:60][CH2:61][CH2:62]1.[CH3:35][N:36]([CH:37]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1)[CH2:43][c:44]1[cH:45][cH:46][c:47]([NH2:48])[cH:49][cH:50]1.[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[O:30]=[CH:31][N:32]([CH3:33])[CH3:34].[OH2:63]>>[CH2:1]([CH2:2][CH3:3])[O:4][CH2:5][CH2:6][O:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[cH:15][cH:16][c:17]3[c:18]([cH:29]2)[CH:19]=[C:20]([C:26](=[O:27])[NH:48][c:47]2[cH:46][cH:45][c:44]([CH2:43][N:36]([CH3:35])[CH:37]4[CH2:38][CH2:39][O:40][CH2:41][CH2:42]4)[cH:50][cH:49]2)[CH2:21][CH2:22][S:23]3(=[O:24])=[O:25])[cH:12][cH:13]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-3b1af68038444ac38ba76f8ff657890f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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