1,4-Dioxane → 1-(4-dimethylamino-4-phenyl-cyclohexylmethyl)-3-[2-(1H-indol-3-yl)-1-methyl-ethyl]-urea
Reaction equation
[NH2:1][CH2:2][CH:3]1[CH2:4][CH2:5][C:6]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)([N:15]([CH3:16])[CH3:17])[CH2:7][CH2:8]1.[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[c:18]1([O:24][C:25](=[O:19])[NH:26][CH:27]([CH2:28][c:29]2[cH:30][nH:31][c:32]3[cH:33][cH:34][cH:35][cH:36][c:37]23)[CH3:38])[cH:20][cH:21][cH:22][cH:23][cH:39]1>>[NH:1]([CH2:2][CH:3]1[CH2:4][CH2:5][C:6]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)([N:15]([CH3:16])[CH3:17])[CH2:7][CH2:8]1)[C:25](=[O:24])[NH:26][CH:27]([CH2:28][c:29]1[cH:30][nH:31][c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]12)[CH3:38]Participants
4
Sources & evidence
- ORD record
- ord-24ff6ea3e04d4a38ac12e86b47129ef6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
- DOI