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

HRID 2338713Notes

Reaction equation

HRID 2338713 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].[F:27][c:28]1[cH:29][cH:30][c:31]([O:32][CH2:33][CH2:34][n:35]2[n:36][cH:37][n:38](-[c:41]3[s:42][c:43]([C:47](=[O:48])[OH:49])[c:44]([CH3:46])[n:45]3)[c:39]2=[O:40])[cH:50][cH:51]1.[n:52]1[cH:53][c:54]([CH2:58][NH2:59])[cH:55][cH:56][cH:57]1>>[F:27][c:28]1[cH:29][cH:30][c:31]([O:32][CH2:33][CH2:34][n:35]2[n:36][cH:37][n:38](-[c:41]3[s:42][c:43]([C:47](=[O:48])[NH:59][CH2:58][c:54]4[cH:53][n:52][cH:57][cH:56][cH:55]4)[c:44]([CH3:46])[n:45]3)[c:39]2=[O:40])[cH:50][cH:51]1

Participants

4

Reactant 3

HCID 310183-PyridinemethanamineHCID 580316322-(1-(2-(4-fluorophenoxy)ethyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-4-methylthiazole-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 250964462-(1-(2-(4-fluorophenoxy)ethyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide

Sources & evidence

ORD record
ord-dd6af52f6c014028886034000177d909
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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