Hydrochloric Acid → N-[4-[N-(4,4-ethylenedioxycyclohexyl)-N-methylaminomethyl]phenyl]-7-(4-morpholinophenyl)-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxamide
Reaction equation
[CH2:41]([N:42]=[C:43]=[N:44][CH2:45][CH2:46][CH2:47][N:48]([CH3:49])[CH3:50])[CH3:51].[CH2:52]1[O:53][C:54]2([CH2:55][CH2:56][CH:57]([N:60]([CH3:61])[CH2:62][c:63]3[cH:64][cH:65][c:66]([NH2:67])[cH:68][cH:69]3)[CH2:58][CH2:59]2)[O:70][CH2:71]1.[CH3:77][CH2:78][N:79]([CH2:80][CH3:81])[CH2:82][CH3:83].[ClH:1].[ClH:40].[O:2]1[CH2:3][CH2:4][N:5]([c:8]2[cH:9][cH:10][c:11](-[c:14]3[cH:15][cH:16][c:17]4[c:18]([cH:29]3)[CH:19]=[C:20]([C:26](=[O:27])[OH:28])[CH2:21][CH2:22][S:23]4(=[O:24])=[O:25])[cH:12][cH:13]2)[CH2:6][CH2:7]1.[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[OH:30][n:31]1[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[n:38][n:39]1>>[O:2]1[CH2:3][CH2:4][N:5]([c:8]2[cH:9][cH:10][c:11](-[c:14]3[cH:15][cH:16][c:17]4[c:18]([cH:29]3)[CH:19]=[C:20]([C:26](=[O:28])[NH:67][c:66]3[cH:65][cH:64][c:63]([CH2:62][N:60]([CH:57]5[CH2:56][CH2:55][C:54]6([O:53][CH2:52][CH2:71][O:70]6)[CH2:59][CH2:58]5)[CH3:61])[cH:69][cH:68]3)[CH2:21][CH2:22][S:23]4(=[O:24])=[O:25])[cH:12][cH:13]2)[CH2:6][CH2:7]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-7121ebc24381499785a9cb452b1bcf53
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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