Acetone → 8-Chloro-3-phenylethylamino-1-phenyl-1H,5H-benzo-2,4-thiazepine
Reaction equation
[CH3:29][C:30](=[O:31])[CH3:32].[Cl:1][c:2]1[cH:3][c:4]([CH:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[OH:28])[c:5]([CH2:6][NH:7][C:8](=[S:9])[NH:10][CH2:11][CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:19][cH:20]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:19][cH:20]1)[CH2:6][N:7]=[C:8]([NH:10][CH2:11][CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[S:9][CH:21]2[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1Participants
3
Sources & evidence
- ORD record
- ord-cd19b37464cf4a4c94bd7d8dfb9c97a5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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