1,4-Dioxane → 3-(5-fluoro-1H-indol-3-yl)piperidine-1-carboxylic acid-(4-dimethylamino-4-phenylcyclohexylmethyl)-amide
Reaction equation
[F:30][c:31]1[cH:32][c:33]2[c:34]([CH:40]3[CH2:41][NH:42][CH2:43][CH2:44][CH2:45]3)[cH:35][nH:36][c:37]2[cH:38][cH:39]1.[N+:1]([c:2]1[cH:3][cH:4][c:5]([O:6][C:11]([NH:12][CH2:13][CH:14]2[CH2:15][CH2:16][C:17]([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)([N:26]([CH3:27])[CH3:28])[CH2:18][CH2:19]2)=[O:29])[cH:7][cH:8]1)([O-:9])=[O:10].[O:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1>>[C:11]([NH:12][CH2:13][CH:14]1[CH2:15][CH2:16][C:17]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)([N:26]([CH3:27])[CH3:28])[CH2:18][CH2:19]1)(=[O:29])[N:42]1[CH2:41][CH:40]([c:34]2[c:33]3[cH:32][c:31]([F:30])[cH:39][cH:38][c:37]3[nH:36][cH:35]2)[CH2:45][CH2:44][CH2:43]1Participants
4
Sources & evidence
- ORD record
- ord-70e76c5d268746a8842e1c0b94bf96b1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)