o-Toluenesulfonyl chloride → N-{3-[5-(2-Chloro-4-pyrimidinyl)-2-(1-methylethyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2-methylbenzenesulfonamide

반응식

[CH3:24][c:25]1[c:26]([S:31](=[O:32])(=[O:33])[Cl:34])[cH:27][cH:28][cH:29][cH:30]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:16]3[c:17]([F:23])[c:18]([NH2:19])[cH:20][cH:21][cH:22]3)[n:10][c:11]([CH:13]([CH3:14])[CH3:15])[s:12]2)[n:7]1>>[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:16]3[c:17]([F:23])[c:18]([NH:19][S:31]([c:26]4[c:25]([CH3:24])[cH:30][cH:29][cH:28][cH:27]4)(=[O:32])=[O:33])[cH:20][cH:21][cH:22]3)[n:10][c:11]([CH:13]([CH3:14])[CH3:15])[s:12]2)[n:7]1

참가 물질

반응물 2

HCID 8623o-Toluenesulfonyl chloride

HCID 579900183-(5-(2-Chloropyrimidin-4-yl)-2-isopropylthiazol-4-yl)-2-fluoroaniline

생성물 1

HCID 57989645N-{3-[5-(2-Chloro-4-pyrimidinyl)-2-(1-methylethyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2-methylbenzenesulfonamide

출처 및 근거

ORD 기록: ord-3efe9466179e4b99a240d735d8a2fbb4
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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