Benzene → 1-(8-Fluoro-10,11-dihydro-2-methyl-dibenzo[b,f]-thiepin-10-yl)-4-methyl-piperazine
Reaction equation
[CH3:19][N:20]1[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]1.[Cl:1][CH:2]1[CH2:3][c:4]2[c:5]([cH:14][cH:15][c:16]([CH3:18])[cH:17]2)[S:6][c:7]2[c:8]1[cH:9][c:10]([F:13])[cH:11][cH:12]2.[ClH:28].[Na+:27].[OH-:26].[cH:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[CH:2]1([N:23]2[CH2:22][CH2:21][N:20]([CH3:19])[CH2:25][CH2:24]2)[CH2:3][c:4]2[c:5]([cH:14][cH:15][c:16]([CH3:18])[cH:17]2)[S:6][c:7]2[c:8]1[cH:9][c:10]([F:13])[cH:11][cH:12]2Participants
7
Sources & evidence
- ORD record
- ord-611e84b742fa4239878e09f6b8bb90df
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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