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Water → 6-[3-(3-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-(2,2,2-trifluoro-ethyl)-nicotinamide

HRID 1536857
Notes
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Reaction equation

HRID 1536857 reaction equation
[CH3:11][O:12][C:13]([c:14]1[cH:15][n:16][c:17]([O:20][CH2:21][c:22]2[c:23](-[c:28]3[cH:29][c:30]([F:34])[cH:31][cH:32][cH:33]3)[n:24][o:25][c:26]2[CH3:27])[cH:18][cH:19]1)=[O:35].[CH3:1][Al:2]([CH3:3])[CH3:4].[F:5][C:6]([CH2:7][NH2:8])([F:9])[F:10].[O:37]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1.[OH2:36]>>[F:5][C:6]([CH2:7][NH:8][C:13](=[O:12])[c:14]1[cH:15][n:16][c:17]([O:20][CH2:21][c:22]2[c:23](-[c:28]3[cH:29][c:30]([F:34])[cH:31][cH:32][cH:33]3)[n:24][o:25][c:26]2[CH3:27])[cH:18][cH:19]1)([F:9])[F:10]
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 962WaterHCID 9773Ethanamine, 2,2,2-trifluoro-HCID 312751,4-DioxaneHCID 16682925TrimethylaluminumHCID 684418946-[3-(3-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-nicotinic acid methyl ester

Product 1

HCID 42629204
6-[3-(3-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-(2,2,2-trifluoro-ethyl)-nicotinamide

Sources & evidence

ORD record
ord-be4cb22c91c045309acbc95428777739
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

Reaction notes

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