2-Chloro-4-[6-methyl-4-(4-trifluoromethylphenyl)-pyridin-2-yl]-pyrimidine → 5-{4-[6-Methyl-4-(4-trifluoromethyl-phenyl)-pyridin-2-yl]-pyrimidin-2-yl}-thiophene-2-sulfonic acid tert-butylamide

반응식

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

참가 물질

반응물 2

HCID 574687972-Chloro-4-[6-methyl-4-(4-trifluoromethylphenyl)-pyridin-2-yl]-pyrimidine

HCID 57468817N-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-sulfonamide

생성물 1

HCID 247609705-{4-[6-Methyl-4-(4-trifluoromethyl-phenyl)-pyridin-2-yl]-pyrimidin-2-yl}-thiophene-2-sulfonic acid tert-butylamide

출처 및 근거

ORD 기록: ord-c0d818a43df14609abeadb99c9005a7e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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