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Isoxazole, 4-(chloromethyl)-3,5-dimethyl- → 2-(1-((3,5-dimethylisoxazol-4-yl)methyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide

HRID 700494
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인쇄 미리보기

반응식

HRID 700494 반응식
[CH3:22][c:23]1[n:24][c:25](-[n:38]2[cH:39][n:40][nH:41][c:42]2=[O:43])[s:26][c:27]1[C:28](=[O:29])[NH:30][CH2:31][c:32]1[cH:33][n:34][cH:35][cH:36][cH:37]1.[Cl:13][CH2:14][c:15]1[c:16]([CH3:21])[n:17][o:18][c:19]1[CH3:20].[F:1][C:2]([F:3])([F:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][Br:10])[cH:11][cH:12]1>>[CH2:14]([c:15]1[c:16]([CH3:21])[n:17][o:18][c:19]1[CH3:20])[n:41]1[n:40][cH:39][n:38](-[c:25]2[n:24][c:23]([CH3:22])[c:27]([C:28](=[O:29])[NH:30][CH2:31][c:32]3[cH:33][n:34][cH:35][cH:36][cH:37]3)[s:26]2)[c:42]1=[O:43]
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참가 물질

4

반응물 3

HCID 88246Isoxazole, 4-(chloromethyl)-3,5-dimethyl-HCID 1230621-(Bromomethyl)-4-(trifluoromethyl)benzeneHCID 594812404-methyl-2-(5-oxo-1H-1,2,4-triazol-4(5H)-yl)-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide

생성물 1

HCID 594813002-(1-((3,5-dimethylisoxazol-4-yl)methyl)-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-ed3af270106543a3a1ba3127571993c8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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