1-Butanol → 9-cyclopentyl-5,7,7-trimethyl-2-(1-phenylethylamino)-8H-pyrimido[4,5-b][1,4]diazepin-6-one
Reaction equation
[CH2:40]([OH:41])[CH2:42][CH2:43][CH3:44].[CH3:22][CH:23]([NH2:24])[c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:11]([n:12]1)[N:10]([CH:13]1[CH2:14][CH2:15][CH2:16][CH2:17]1)[CH2:9][C:8]([CH3:18])([CH3:19])[C:7](=[O:20])[N:6]2[CH3:21]>>[c:2]1([NH:24][CH:23]([CH3:22])[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[n:3][cH:4][c:5]2[c:11]([n:12]1)[N:10]([CH:13]1[CH2:14][CH2:15][CH2:16][CH2:17]1)[CH2:9][C:8]([CH3:18])([CH3:19])[C:7](=[O:20])[N:6]2[CH3:21]Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-5bb772a19f9349858e3260d1baa31029
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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