Acetone → 4-(3-Cyclopentyloxy-4-methoxyphenyl)-4-(4-pyridylethynyl)cyclohexan-1-one
Reaction equation
[CH3:50][C:51](=[O:52])[CH3:53].[CH:1]1([O:6][c:7]2[cH:8][c:9]([C:15]3([C:25]#[C:26][c:27]4[cH:28][cH:29][n:30][cH:31][cH:32]4)[CH2:16][CH2:17][C:18]4([CH2:19][CH2:20]3)[O:21][CH2:24][CH2:23][O:22]4)[cH:10][cH:11][c:12]2[O:13][CH3:14])[CH2:2][CH2:3][CH2:4][CH2:5]1.[OH2:54].[c:33]1([CH3:34])[cH:35][cH:36][c:37]([S:38]([O-:39])(=[O:40])=[O:41])[cH:42][cH:43]1.[nH+:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[CH:1]1([O:6][c:7]2[cH:8][c:9]([C:15]3([C:25]#[C:26][c:27]4[cH:28][cH:29][n:30][cH:31][cH:32]4)[CH2:16][CH2:17][C:18](=[O:21])[CH2:19][CH2:20]3)[cH:10][cH:11][c:12]2[O:13][CH3:14])[CH2:2][CH2:3][CH2:4][CH2:5]1Participants
6
Sources & evidence
- ORD record
- ord-f00d012f8ff949948eb80bf707cea8a9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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