Diethyl Ether → 1-[4-[Bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-[cyclohexyl(methyl)amino]-4-methylpentan-1-one
Reaction equation
[CH3:47][CH2:48][O:49][CH2:50][CH3:51].[CH:17]([N:18]([CH2:19][CH3:20])[CH:21]([CH3:22])[CH3:23])([CH3:24])[CH3:25].[CH:1]1([N:7]([CH:8]([C:9](=[O:10])[OH:11])[CH2:12][CH:13]([CH3:14])[CH3:15])[CH3:16])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[F:26][c:27]1[cH:28][cH:29][c:30]([CH:33]([N:34]2[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]2)[c:40]2[cH:41][cH:42][c:43]([F:46])[cH:44][cH:45]2)[cH:31][cH:32]1.[O:52]=[CH:53][N:54]([CH3:55])[CH3:56]>>[CH:1]1([N:7]([CH:8]([C:9](=[O:11])[N:37]2[CH2:36][CH2:35][N:34]([CH:33]([c:30]3[cH:29][cH:28][c:27]([F:26])[cH:32][cH:31]3)[c:40]3[cH:41][cH:42][c:43]([F:46])[cH:44][cH:45]3)[CH2:39][CH2:38]2)[CH2:12][CH:13]([CH3:14])[CH3:15])[CH3:16])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1Participants
6
Sources & evidence
- ORD record
- ord-b6db1a7268a94c49ba62be7e014f4712
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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