Ethanolamine → 6-{[3-(4-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethyl]-amino}-pyridazine-3-carboxylic acid (2-hydroxy-ethyl)-amide
Reaction equation
[C:35]([CH:36]([CH:37]([C:38]([O-:39])=[O:40])[OH:41])[OH:42])([O-:43])=[O:44].[CH2:9]([O:11][C:12](=[O:10])[c:14]1[n:15][n:16][c:17]([NH:20][CH2:21][c:22]2[c:23](-[c:28]3[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]3)[n:24][o:25][c:26]2[CH3:27])[cH:18][cH:19]1)[CH3:13].[CH3:1][Al:2]([CH3:3])[CH3:4].[K+:45].[NH2:5][CH2:6][CH2:7][OH:8].[Na+:46].[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1>>[NH:5]([CH2:6][CH2:7][OH:8])[C:12](=[O:11])[c:14]1[n:15][n:16][c:17]([NH:20][CH2:21][c:22]2[c:23](-[c:28]3[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]3)[n:24][o:25][c:26]2[CH3:27])[cH:18][cH:19]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-7b84ae036b1f48b88ba5ed57997d019b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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