Water → Ethyl 3-[8-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propanoate
Reaction equation
[Br:28][CH2:29][CH2:30][C:31](=[O:32])[O:33][CH2:34][CH3:35].[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[n:13][c:14](-[c:17]3[cH:18][c:19]4[c:20]([cH:26][cH:27]3)[CH2:21][NH:22][CH2:23][CH2:24][O:25]4)[n:15][o:16]2)[cH:5][cH:6][c:7]1[O:8][CH:9]([CH3:10])[CH3:11].[OH2:51]>>[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[n:13][c:14](-[c:17]3[cH:18][c:19]4[c:20]([cH:26][cH:27]3)[CH2:21][N:22]([CH2:29][CH2:30][C:31](=[O:32])[O:33][CH2:34][CH3:35])[CH2:23][CH2:24][O:25]4)[n:15][o:16]2)[cH:5][cH:6][c:7]1[O:8][CH:9]([CH3:10])[CH3:11]Participants
6
Sources & evidence
- ORD record
- ord-cfaad2345f114bea9f080325f860cb06
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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