Hydrochloric Acid → 8-Fluoro-11-{3-[2-(4-fluoro-phenyl)-ethyl]-piperazin-1-yl}-2-trifluoromethyl-5H-dibenzo[b,e][1,4]diazepine
Reaction equation
[CH3:47][N:48]1[CH2:49][CH2:50][CH2:51][C:52]1=[O:53].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[CH:23]([N:24]([CH:25]([CH3:26])[CH3:27])[CH2:28][CH3:29])([CH3:30])[CH3:31].[ClH:1].[F:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:22]1)[N:8]=[C:9]([NH2:21])[c:10]1[c:11]([cH:13][cH:14][c:15]([C:17]([F:18])([F:19])[F:20])[cH:16]1)[NH:12]2.[F:32][c:33]1[cH:34][cH:35][c:36]([CH2:39][CH2:40][CH:41]2[NH:42][CH2:43][CH2:44][NH:45][CH2:46]2)[cH:37][cH:38]1>>[F:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:22]1)[N:8]=[C:9]([N:21]1[CH2:44][CH2:43][NH:42][CH:41]([CH2:40][CH2:39][c:36]3[cH:35][cH:34][c:33]([F:32])[cH:38][cH:37]3)[CH2:46]1)[c:10]1[c:11]([cH:13][cH:14][c:15]([C:17]([F:18])([F:19])[F:20])[cH:16]1)[NH:12]2Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-89e43bba29a34a4e9e00337549eb1091
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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