Acetic Acid → 5-[3-Butyl-6-(1-methyl-piperidin-4-yloxy)-pyridazin-4-yl]-2-cyclohexyloxy-benzoic acid methyl ester
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].[CH2:37]=[O:38].[CH3:3][O:4][C:5]([c:6]1[c:7]([O:29][CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2)[cH:8][cH:9][c:10](-[c:12]2[c:13]([CH2:25][CH2:26][CH2:27][CH3:28])[n:14][n:15][c:16]([O:18][CH:19]3[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]3)[cH:17]2)[cH:11]1)=[O:36].[CH3:57][C:58](=[O:59])[OH:60].[Cl:54][CH2:55][Cl:56].[ClH:1].[ClH:2].[Na+:53].[OH2:39]>>[CH3:3][O:4][C:5]([c:6]1[c:7]([O:29][CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2)[cH:8][cH:9][c:10](-[c:12]2[c:13]([CH2:25][CH2:26][CH2:27][CH3:28])[n:14][n:15][c:16]([O:18][CH:19]3[CH2:20][CH2:21][N:22]([CH3:40])[CH2:23][CH2:24]3)[cH:17]2)[cH:11]1)=[O:36]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-12c5ce4334e8452e992e75305623def2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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