Hydrochloric Acid → 1-[3-(3-Chloro-4-fluorophenyl)prop-2-enoyl]-4-(3-piperidin-1-ylpropyl)-1,4-diazepan-5-one
Reaction equation
[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH:40]1([N:41]=[C:42]=[N:43][CH:44]2[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]2)[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54]1.[Cl:20][c:21]1[cH:22][c:23]([CH:24]=[CH:25][C:26](=[O:27])[OH:28])[cH:29][cH:30][c:31]1[F:32].[Cl:55][CH2:56][Cl:57].[ClH:1].[ClH:2].[N:3]1([CH2:9][CH2:10][CH2:11][N:12]2[CH2:13][CH2:14][NH:15][CH2:16][CH2:17][C:18]2=[O:19])[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]1>>[N:3]1([CH2:9][CH2:10][CH2:11][N:12]2[CH2:13][CH2:14][N:15]([C:26]([CH:25]=[CH:24][c:23]3[cH:22][c:21]([Cl:20])[c:31]([F:32])[cH:30][cH:29]3)=[O:27])[CH2:16][CH2:17][C:18]2=[O:19])[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-dce33db871f74dd8959c74db385f47d7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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