4-Chloro-3-(pyridin-2-yl)aniline → N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-((4-methyl-4H-1,2,4-triazol-3-ylsulfinyl)methyl)benzamide

HRID 96622

반응식

HRID 96622 반응식
[CH3:19][n:20]1[cH:21][n:22][n:23][c:24]1[S:25]([CH2:26][c:27]1[cH:28][cH:29][c:30]([C:31]([OH:32])=[O:33])[cH:34][cH:35]1)(=[O:36])=[O:37].[CH3:1][n:2]1[c:3]([S:7](=[O:8])[CH2:9][c:10]2[cH:11][cH:12][c:13]([C:14](=[O:15])[OH:16])[cH:17][cH:18]2)[n:4][n:5][cH:6]1.[Cl:38][c:39]1[c:40](-[c:46]2[n:47][cH:48][cH:49][cH:50][cH:51]2)[cH:41][c:42]([NH2:43])[cH:44][cH:45]1>>[CH3:1][n:2]1[c:3]([S:7](=[O:8])[CH2:9][c:10]2[cH:11][cH:12][c:13]([C:14](=[O:16])[NH:43][c:42]3[cH:41][c:40](-[c:46]4[n:47][cH:48][cH:49][cH:50][cH:51]4)[c:39]([Cl:38])[cH:45][cH:44]3)[cH:17][cH:18]2)[n:4][n:5][cH:6]1

참가 물질

4

반응물 3

HCID 401519254-Chloro-3-(pyridin-2-yl)anilineHCID 668955914-((4-methyl-4H-1,2,4-triazol-3-ylsulfinyl)methyl)benzoic acidHCID 668961684-((4-methyl-4H-1,2,4-triazol-3-ylsulfonyl)methyl)benzoic acid

생성물 1

HCID 58614626N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-((4-methyl-4H-1,2,4-triazol-3-ylsulfinyl)methyl)benzamide

출처 및 근거

ORD 기록
ord-632660f3ae394ebc9b2e48f9eb8d8089
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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