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Pyridine → N-{2,4-difluoro-3-[1-ethyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl]phenyl}-2,5-difluorobenzenesulfonamide

HRID 160742
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HRID 160742 반응식
[CH2:1]([CH3:2])[n:3]1[n:4][c:5](-[c:14]2[c:15]([F:22])[c:16]([NH2:21])[cH:17][cH:18][c:19]2[F:20])[c:6](-[c:8]2[cH:9][cH:10][n:11][cH:12][cH:13]2)[cH:7]1.[F:23][c:24]1[c:25]([S:31](=[O:32])(=[O:33])[Cl:34])[cH:26][c:27]([F:30])[cH:28][cH:29]1.[S:35]([Cl:36])([Cl:37])(=[O:38])=[O:39].[cH:40]1[cH:41][cH:42][n:43][cH:44][cH:45]1>>[CH2:1]([CH3:2])[n:3]1[n:4][c:5](-[c:14]2[c:15]([F:22])[c:16]([NH:21][S:31]([c:25]3[c:24]([F:23])[cH:29][cH:28][c:27]([F:30])[cH:26]3)(=[O:32])=[O:33])[cH:17][cH:18][c:19]2[F:20])[c:6](-[c:8]2[cH:9][cH:10][n:11][cH:12][cH:13]2)[cH:7]1
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5

반응물 4

HCID 1049PyridineHCID 24648Sulfuryl chlorideHCID 27369112,5-Difluorobenzenesulfonyl chlorideHCID 671844933-(1-Ethyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-2,4-difluoro-phenylamine

생성물 1

HCID 44622209N-{2,4-difluoro-3-[1-ethyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl]phenyl}-2,5-difluorobenzenesulfonamide

출처 및 근거

ORD 기록
ord-f737ccd14ef14db4bbe889627ead649b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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