Hydrochloric Acid → 6-[3-(2-methoxyethyl)piperazin-1-yl]-8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepine
Reaction equation
[CH3:22][O:23][CH2:24][CH2:25][CH:26]1[NH:27][CH2:28][CH2:29][NH:30][CH2:31]1.[CH3:32][S:33]([CH3:34])=[O:35].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[ClH:1].[F:2][C:3]([c:4]1[cH:5][c:6]2[c:7]([cH:18][cH:19]1)[NH:8][c:9]1[c:10]([cH:14][cH:15][cH:16][cH:17]1)[N:11]=[C:12]2[NH2:13])([F:20])[F:21]>>[F:2][C:3]([c:4]1[cH:5][c:6]2[c:7]([cH:18][cH:19]1)[NH:8][c:9]1[c:10]([cH:14][cH:15][cH:16][cH:17]1)[N:11]=[C:12]2[N:13]1[CH2:29][CH2:28][NH:27][CH:26]([CH2:25][CH2:24][O:23][CH3:22])[CH2:31]1)([F:20])[F:21]Participants
6
Sources & evidence
- ORD record
- ord-febff3ce56a14b689e29037970273b7b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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