5-[4-Fluoro-3-(3-fluoropyridin-2-yl)phenyl]-3-methylsulfanyl-[1,2,4]triazine → 3-(3,5-Difluoro-pyridin-2-yl)-5-[4-fluoro-3-(3-fluoropyridin-2-yl)phenyl]-[1,2,4]triazine

반응식

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

참가 물질

반응물 2

HCID 222735905-[4-Fluoro-3-(3-fluoropyridin-2-yl)phenyl]-3-methylsulfanyl-[1,2,4]triazine

HCID 222735933,5-Difluoro-2-tributylstannylpyridine

생성물 1

HCID 103399033-(3,5-Difluoro-pyridin-2-yl)-5-[4-fluoro-3-(3-fluoropyridin-2-yl)phenyl]-[1,2,4]triazine

출처 및 근거

ORD 기록: ord-f75580e330d14b35af681eee99d777db
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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