Hydrochloric Acid → 2-fluoro-6-[3-(3-methoxypropyl)piperazin-1-yl]-8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepine
Reaction equation
[CH3:23][O:24][CH2:25][CH2:26][CH2:27][CH:28]1[NH:29][CH2:30][CH2:31][NH:32][CH2:33]1.[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH3:50][S:51]([CH3:52])=[O:53].[CH:34]([N:35]([CH:36]([CH3:37])[CH3:38])[CH2:39][CH3:40])([CH3:41])[CH3:42].[ClH:1].[F:2][c:3]1[cH:4][c:5]2[c:6]([cH:21][cH:22]1)[N:7]=[C:8]([NH2:20])[c:9]1[c:10]([cH:12][cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]1)[NH:11]2>>[F:2][c:3]1[cH:4][c:5]2[c:6]([cH:21][cH:22]1)[N:7]=[C:8]([N:20]1[CH2:31][CH2:30][NH:29][CH:28]([CH2:27][CH2:26][CH2:25][O:24][CH3:23])[CH2:33]1)[c:9]1[c:10]([cH:12][cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]1)[NH:11]2Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-c7bbfb414bdf4bc0ad631e5f513598d5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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