Hydrochloric Acid → 8-chloro-2-(2-chloroethyl)-2,3-dihydro-4-methyl-1,4-benzoxazepin-5(4H)one
Reaction equation
[CH3:26][CH2:27][O:28][C:29](=[O:30])[CH3:31].[Cl:3][c:4]1[cH:5][c:6]([O:13][CH:14]2[CH2:15][N:16]([CH3:19])[CH2:17][CH2:18]2)[c:7]([C:8](=[O:9])[NH2:10])[cH:11][cH:12]1.[ClH:20].[Na+:2].[OH-:1].[OH2:25].[S:21]([Cl:22])([Cl:23])=[O:24]>>[Cl:3][c:4]1[cH:5][c:6]2[c:7]([cH:11][cH:12]1)[C:8](=[O:9])[N:16]([CH3:19])[CH2:15][CH:14]([CH2:18][CH2:17][Cl:23])[O:13]2Participants
8
Sources & evidence
- ORD record
- ord-a24f9d76382b46c7a3849a7e2cb794fe
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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