3-Pyridinemethanamine → 4-methyl-2-(5-oxo-1-(4,4,4-trifluorobutyl)-1H-1,2,4-triazol-4(5H)-yl)-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide

HRID 112066Notes

Reaction equation

HRID 112066 reaction equation
[CH3:1][c:2]1[n:3][c:4](-[n:5]2[c:6](=[O:7])[n:8]([CH2:9][c:10]3[cH:11][cH:12][c:13]([C:14]([F:15])([F:16])[F:17])[cH:18][cH:19]3)[n:20][cH:21]2)[s:22][c:23]1[C:24]([OH:25])=[O:26].[CH3:27][c:28]1[n:29][c:30](-[n:36]2[cH:37][n:38][n:39]([CH2:42][CH2:43][CH2:44][C:45]([F:46])([F:47])[F:48])[c:40]2=[O:41])[s:31][c:32]1[C:33](=[O:34])[OH:35].[n:49]1[cH:50][c:51]([CH2:55][NH2:56])[cH:52][cH:53][cH:54]1>>[CH3:27][c:28]1[n:29][c:30](-[n:36]2[cH:37][n:38][n:39]([CH2:42][CH2:43][CH2:44][C:45]([F:46])([F:47])[F:48])[c:40]2=[O:41])[s:31][c:32]1[C:33](=[O:35])[NH:56][CH2:55][c:51]1[cH:50][n:49][cH:54][cH:53][cH:52]1

Participants

4

Reactant 3

HCID 310183-PyridinemethanamineHCID 580314444-methyl-2-(5-oxo-1-(4,4,4-trifluorobutyl)-1H-1,2,4-triazol-4(5H)-yl)thiazole-5-carboxylic acidHCID 580316664-methyl-2-(5-oxo-1-(4-(trifluoromethyl)benzyl)-1H-1,2,4-triazol-4(5H)-yl)thiazole-5-carboxylic acid

Product 1

HCID 250959304-methyl-2-(5-oxo-1-(4,4,4-trifluorobutyl)-1H-1,2,4-triazol-4(5H)-yl)-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide

Sources & evidence

ORD record
ord-e11fa84ec406451a97d1ec9fad114316
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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