Toluene → 2-[2-[4-[Bis(4-fluorophenyl)methyl]-1-piperidinyl]ethyl]-3,4-dihydro-1,4-dimethyl-1H-[1,3,5]-triazepino[3,2-a]benzimidazol-5(2H)-one
Reaction equation
[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[Cl:8][CH2:9][CH2:10][CH:11]1[CH2:12][N:13]([CH3:27])[C:14](=[O:26])[n:15]2[c:16]([n:17][c:18]3[c:19]2[cH:20][cH:21][cH:22][cH:23]3)[N:24]1[CH3:25].[F:28][c:29]1[cH:30][cH:31][c:32]([CH:35]([CH:36]2[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]2)[c:42]2[cH:43][cH:44][c:45]([F:48])[cH:46][cH:47]2)[cH:33][cH:34]1>>[CH2:9]([CH2:10][CH:11]1[CH2:12][N:13]([CH3:27])[C:14](=[O:26])[n:15]2[c:16]([n:17][c:18]3[c:19]2[cH:20][cH:21][cH:22][cH:23]3)[N:24]1[CH3:25])[N:39]1[CH2:38][CH2:37][CH:36]([CH:35]([c:32]2[cH:31][cH:30][c:29]([F:28])[cH:34][cH:33]2)[c:42]2[cH:43][cH:44][c:45]([F:48])[cH:46][cH:47]2)[CH2:41][CH2:40]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-3ec40be09f0e48678b20031c1ee89962
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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