3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamide → 3'-[4-Trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyridin-2-yl]-biphenyl-3-sulfonic acid amide

반응식

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

참가 물질

반응물 2

HCID 164142303-(Tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamide

HCID 574687442-(3-Bromo-phenyl)-4-trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyridine

생성물 1

HCID 574688693'-[4-Trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyridin-2-yl]-biphenyl-3-sulfonic acid amide

출처 및 근거

ORD 기록: ord-31fe8ae75a704b95b98f6ad1fde9feca
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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