Methyl triflate → 4-[3-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]-2-(trifluoromethyl)-10H-[1,3]thiazolo[5,4-b][1,5]benzodiazepine
Reaction equation
[F:1][C:2]([c:3]1[n:4][c:5]2[c:11]([s:12]1)[NH:10][c:9]1[c:8]([cH:16][cH:15][cH:14][cH:13]1)[NH:7][C:6]2=[S:17])([F:18])[F:19].[F:20][C:21]([F:22])([F:23])[S:24]([O:25][CH3:26])(=[O:27])=[O:28].[F:29][c:30]1[cH:31][c:32]([CH2:36][CH2:37][CH:38]2[NH:39][CH2:40][CH2:41][NH:42][CH2:43]2)[cH:33][cH:34][cH:35]1>>[F:1][C:2]([c:3]1[n:4][c:5]2[c:11]([s:12]1)[NH:10][c:9]1[c:8]([cH:16][cH:15][cH:14][cH:13]1)[N:7]=[C:6]2[N:42]1[CH2:41][CH2:40][NH:39][CH:38]([CH2:37][CH2:36][c:32]2[cH:31][c:30]([F:29])[cH:35][cH:34][cH:33]2)[CH2:43]1)([F:18])[F:19]Participants
4
Sources & evidence
- ORD record
- ord-b508fba1fd4e438a9dee950719d7e5a5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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