Sodium ion → 9-Benzyl-2-chloro-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[c:9]2[c:10]([cH:16][n:17][c:18]([Cl:20])[n:19]2)[NH:11][C:12](=[O:15])[CH2:13][CH2:14]1.[CH3:21][N:22]([CH3:23])[C:24](=[O:25])[CH3:26].[H-:29].[I:27][CH3:28].[Na+:30].[OH2:31]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[c:9]2[c:10]([cH:16][n:17][c:18]([Cl:20])[n:19]2)[N:11]([CH3:21])[C:12](=[O:15])[CH2:13][CH2:14]1Participants
7
Sources & evidence
- ORD record
- ord-aadd9f70619f4563a26489ca929e82df
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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