Hydrochloric Acid → 8-fluoro-12-[3-(2-phenylethyl)piperazin-1-yl]-6H-[1]benzothiolo[2,3-b][1,5]benzodiazepine
Reaction equation
[CH2:22]([CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[CH:30]1[NH:31][CH2:32][CH2:33][NH:34][CH2:35]1.[CH3:45][S:46]([CH3:47])=[O:48].[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[CH:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH2:41][CH3:42])([CH3:43])[CH3:44].[Cl:56][CH2:57][Cl:58].[ClH:1].[F:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:21]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:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:21]1)[NH:8][c:9]1[s:10][c:11]3[c:12]([c:13]1[C:14]([N:16]1[CH2:33][CH2:32][NH:31][CH:30]([CH2:22][CH2:23][c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[CH2:35]1)=[N:15]2)[cH:17][cH:18][cH:19][cH:20]3Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-93324120c39c418782adfe3defe0675b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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