Hydrochloric Acid → 12-[3-(2-methoxyethyl)piperazin-1-yl]-9-(trifluoromethyl)-6H-[1]benzothiolo[2,3-b][1,5]benzodiazepine
Reaction equation
[CH3:25][O:26][CH2:27][CH2:28][CH:29]1[NH:30][CH2:31][CH2:32][NH:33][CH2:34]1.[CH3:51][S:52]([CH3:53])=[O:54].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[ClH:1].[F:2][C:3]([c:4]1[cH:5][c:6]2[c:7]([cH:21][cH:22]1)[NH:8][c:9]1[s:10][c:11]3[c:12]([c:13]1[C:14]([NH2:16])=[N:15]2)[cH:17][cH:18][cH:19][cH:20]3)([F:23])[F:24].[Na+:62].[OH-:61].[c:44]1([CH3:45])[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[F:2][C:3]([c:4]1[cH:5][c:6]2[c:7]([cH:21][cH:22]1)[NH:8][c:9]1[s:10][c:11]3[c:12]([c:13]1[C:14]([N:16]1[CH2:32][CH2:31][NH:30][CH:29]([CH2:28][CH2:27][O:26][CH3:25])[CH2:34]1)=[N:15]2)[cH:17][cH:18][cH:19][cH:20]3)([F:23])[F:24]Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-a16f06a275f24bbfb51c78520619a47a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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