1,4-Dioxane → N-[2-(4-Cyanophenoxy)ethyl]-N-[2-(9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl)ethyl]urea
Reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH:10]2[CH2:11][N:12]([CH2:17][CH2:18][N:19]([C:20](=[O:21])[NH2:22])[CH2:23][CH2:24][O:25][c:26]3[cH:27][cH:28][c:29]([C:32]#[N:33])[cH:30][cH:31]3)[CH2:13][CH:14]([CH2:15]1)[O:16]2)([CH3:5])([CH3:6])[CH3:7].[O:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1>>[NH:8]1[CH2:9][CH:10]2[CH2:11][N:12]([CH2:17][CH2:18][N:19]([C:20](=[O:21])[NH2:22])[CH2:23][CH2:24][O:25][c:26]3[cH:27][cH:28][c:29]([C:32]#[N:33])[cH:30][cH:31]3)[CH2:13][CH:14]([CH2:15]1)[O:16]2Participants
3
Sources & evidence
- ORD record
- ord-4982342da0744e1480e83c37dc69078f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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