Azepane → 5,11-Dihydro-11-[4-(hexahydro-1H-1-azepinyl)-but-2-ynyl]-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Reaction equation
[CH2:1]([C:2]#[CH:3])[N:4]1[c:5]2[c:6]([cH:16][cH:17][cH:18][n:19]2)[NH:7][C:8](=[O:15])[c:9]2[c:10]1[cH:11][cH:12][cH:13][cH:14]2.[CH3:27][CH2:28][O:29][C:30](=[O:31])[CH3:32].[NH:20]1[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]1>>[CH2:1]([C:2]#[C:3][CH2:27][N:20]1[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]1)[N:4]1[c:5]2[c:6]([cH:16][cH:17][cH:18][n:19]2)[NH:7][C:8](=[O:15])[c:9]2[c:10]1[cH:11][cH:12][cH:13][cH:14]2Participants
4
Sources & evidence
- ORD record
- ord-be2f71e53ced48a0bb0dd8f89fa821ca
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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