Water → Hexahydro-3-[4-[4-(6-chloro-2-pyrazinyl)-1-piperazinyl]butyl]-1,5-methanocyclopent[d]azepine-2,4(1H,3H)-dione
Reaction equation
[CH:1]12[CH:2]3[CH2:3][CH:4]([CH:5]1[CH2:6][CH2:7][CH2:8]2)[C:9](=[O:10])[O:11][C:12]3=[O:13].[NH2:14][CH2:15][CH2:16][CH2:17][CH2:18][N:19]1[CH2:20][CH2:21][N:22]([c:25]2[n:26][c:27]([Cl:31])[cH:28][n:29][cH:30]2)[CH2:23][CH2:24]1.[OH2:32]>>[CH:1]12[CH:2]3[CH2:3][CH:4]([CH:5]1[CH2:6][CH2:7][CH2:8]2)[C:9](=[O:11])[N:14]([CH2:15][CH2:16][CH2:17][CH2:18][N:19]1[CH2:20][CH2:21][N:22]([c:25]2[n:26][c:27]([Cl:31])[cH:28][n:29][cH:30]2)[CH2:23][CH2:24]1)[C:12]3=[O:13]Participants
4
Sources & evidence
- ORD record
- ord-bc7de8e4bd0649cfa8a883422126e2d7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)