Hydrochloric Acid → 2-[4-(3-Cyclohexylpropyl)piperazin-1-yl]-5-methoxybenzonitrile
Reaction equation
[Br:17][CH2:18][CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[CH3:26][O:27][c:28]1[cH:29][cH:30][c:31]([N:36]2[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]2)[c:32]([C:33]#[N:34])[cH:35]1.[CH3:3][O:4][c:5]1[cH:6][cH:7][c:8]([N:9]2[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]2)[cH:15][cH:16]1.[CH3:42][S:43]([O:44][CH2:47][CH2:48][CH2:49][CH:50]1[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]1)(=[O:45])=[O:46].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[ClH:1].[ClH:2].[O:61]1[CH2:62][CH2:63][CH2:64][CH2:65]1>>[CH3:26][O:27][c:28]1[cH:29][cH:30][c:31]([N:36]2[CH2:37][CH2:38][N:39]([CH2:47][CH2:48][CH2:49][CH:50]3[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]3)[CH2:40][CH2:41]2)[c:32]([C:33]#[N:34])[cH:35]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-6c5e4accbeb64fc493aa063f54294130
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
Loading…