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

HRID 180112
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HRID 180112 반응식
[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][CH:28]([O:29][c:30]1[cH:31][cH:32][c: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)[F:52].[n:53]1[cH:54][c:55]([CH2:59][NH2:60])[cH:56][cH:57][cH:58]1>>[F:27][CH:28]([O:29][c:30]1[cH:31][cH:32][c:33]([CH2:34][n:35]2[n:36][cH:37][n:38](-[c:41]3[s:42][c:43]([C:47](=[O:48])[NH:60][CH2:59][c:55]4[cH:54][n:53][cH:58][cH:57][cH:56]4)[c:44]([CH3:46])[n:45]3)[c:39]2=[O:40])[cH:50][cH:51]1)[F:52]
참가 물질출처 및 근거반응 노트

참가 물질

4

반응물 3

HCID 310183-PyridinemethanamineHCID 580314632-(1-(4-(difluoromethoxy)benzyl)-5-oxo-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

생성물 1

HCID 594812962-(1-(4-(difluoromethoxy)benzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide

출처 및 근거

ORD 기록
ord-7d12090139f44547b20f0e200e3f2b7d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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