Acetic Acid → 3-Butyl-4-(4-cyclohexyloxy-3-oxazol-2-yl-phenyl)-6-(1-methyl-piperidin-4-yloxy)-pyridazine
Reaction equation
[C:40]([O:41][BH-:42]([O:43][C:44](=[O:45])[CH3:46])[O:47][C:48](=[O:49])[CH3:50])(=[O:51])[CH3:52].[CH2:38]=[O:39].[CH2:3]([CH2:4][CH2:5][CH3:6])[c:7]1[n:8][n:9][c:10]([O:31][CH:32]2[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]2)[cH:11][c:12]1-[c:13]1[cH:14][c:15](-[c:26]2[o:27][cH:28][cH:29][n:30]2)[c:16]([O:19][CH:20]2[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]2)[cH:17][cH:18]1.[CH3:67][C:68](=[O:69])[OH:70].[Cl:59][CH2:60][Cl:61].[Cl:64][CH2:65][Cl:66].[ClH:1].[ClH:2].[Na+:53].[Na+:58].[O-:54][C:55]([OH:56])=[O:57].[OH2:62].[OH2:63]>>[CH2:3]([CH2:4][CH2:5][CH3:6])[c:7]1[n:8][n:9][c:10]([O:31][CH:32]2[CH2:33][CH2:34][N:35]([CH3:40])[CH2:36][CH2:37]2)[cH:11][c:12]1-[c:13]1[cH:14][c:15](-[c:26]2[o:27][cH:28][cH:29][n:30]2)[c:16]([O:19][CH:20]2[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]2)[cH:17][cH:18]1Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-7b279664560044aca1be780a7c6f175e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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