1,4-Dioxane → 1-(4-dimethylamino-4-phenylcyclohexyl)-3-[2-(1H-indol-3-yl)-1-methylethyl]urea
Reaction equation
[CH3:1][N:2]([C:3]1([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[CH2:4][CH2:5][CH:6]([NH2:9])[CH2:7][CH2:8]1)[CH3:16].[O:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[c:17]1([O:23][C:24](=[O:18])[NH:25][CH:26]([CH2:27][c:28]2[cH:29][nH:30][c:31]3[cH:32][cH:33][cH:34][cH:35][c:36]23)[CH3:37])[cH:19][cH:20][cH:21][cH:22][cH:38]1>>[CH3:1][N:2]([C:3]1([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[CH2:4][CH2:5][CH:6]([NH:9][C:24](=[O:23])[NH:25][CH:26]([CH2:27][c:28]2[cH:29][nH:30][c:31]3[cH:32][cH:33][cH:34][cH:35][c:36]23)[CH3:37])[CH2:7][CH2:8]1)[CH3:16]Participants
4
Sources & evidence
- ORD record
- ord-13da93d8ae8a419ebb7487aa3a37bf9c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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