Hydrochloric Acid → 2-(1-(4-fluorobenzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-4-methyl-N-(oxazol-2-ylmethyl)thiazole-5-carboxamide

HRID 285291

Reaction equation

HRID 285291 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].[ClH:50].[F:27][c:28]1[cH:29][cH:30][c:31]([CH2:32][n:33]2[n:34][cH:35][n:36](-[c:39]3[s:40][c:41]([C:45](=[O:46])[OH:47])[c:42]([CH3:44])[n:43]3)[c:37]2=[O:38])[cH:48][cH:49]1.[o:51]1[c:52]([CH2:56][NH2:57])[n:53][cH:54][cH:55]1>>[F:27][c:28]1[cH:29][cH:30][c:31]([CH2:32][n:33]2[n:34][cH:35][n:36](-[c:39]3[s:40][c:41]([C:45](=[O:46])[NH:57][CH2:56][c:52]4[o:51][cH:55][cH:54][n:53]4)[c:42]([CH3:44])[n:43]3)[c:37]2=[O:38])[cH:48][cH:49]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 18947655Oxazol-2-ylmethanamineHCID 579198022-(1-(4-fluorobenzyl)-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 594811922-(1-(4-fluorobenzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-4-methyl-N-(oxazol-2-ylmethyl)thiazole-5-carboxamide

Sources & evidence

ORD record
ord-c7140b1ec37e45609259652305317501
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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