Water → 3-[4-(1,1-Dimethylheptyl)-2-hydroxyphenyl]-4-(3-phenylpropyl)-1,2,5,6-tetrahydropyridine
Reaction equation
[CH3:1][C:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])([CH3:9])[c:10]1[cH:11][c:12]([OH:32])[c:13]([CH:16]2[CH2:17][NH:18][CH2:19][CH2:20][C:21]2([OH:22])[CH2:23][CH2:24][CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:14][cH:15]1.[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[Cl:52][CH2:53][Cl:54].[OH2:33].[c:34]1([CH3:35])[cH:36][cH:37][c:38]([S:39]([OH:40])(=[O:41])=[O:42])[cH:43][cH:44]1>>[CH3:1][C:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])([CH3:9])[c:10]1[cH:11][c:12]([OH:32])[c:13]([C:16]2=[C:21]([CH2:23][CH2:24][CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[CH2:20][CH2:19][NH:18][CH2:17]2)[cH:14][cH:15]1Participants
6
Sources & evidence
- ORD record
- ord-99b1c758742a48f1ba0aace2662b3de8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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