Acetic Acid → 5-[3-Butyl-6-(1-methyl-piperidin-4-yloxy)-pyridazin-4-yl]-2-cyclohexyloxy-benzonitrile
Reaction equation
[C:37]([O:38][BH-:39]([O:40][C:41](=[O:42])[CH3:43])[O:44][C:45](=[O:46])[CH3:47])(=[O:48])[CH3:49].[CH2:35]=[O:36].[CH2:3]([CH2:4][CH2:5][CH3:6])[c:7]1[n:8][n:9][c:10]([O:28][CH:29]2[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]2)[cH:11][c:12]1-[c:13]1[cH:14][cH:15][c:16]([O:21][CH:22]2[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]2)[c:17]([C:18]#[N:19])[cH:20]1.[CH3:64][C:65](=[O:66])[OH:67].[Cl:56][CH2:57][Cl:58].[Cl:61][CH2:62][Cl:63].[ClH:1].[ClH:2].[Na+:50].[Na+:55].[O-:51][C:52]([OH:53])=[O:54].[OH2:59].[OH2:60]>>[CH2:3]([CH2:4][CH2:5][CH3:6])[c:7]1[n:8][n:9][c:10]([O:28][CH:29]2[CH2:30][CH2:31][N:32]([CH3:37])[CH2:33][CH2:34]2)[cH:11][c:12]1-[c:13]1[cH:14][cH:15][c:16]([O:21][CH:22]2[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]2)[c:17]([C:18]#[N:19])[cH:20]1Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-a47ca91a5b344fe3a73178f31fef3c74
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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