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Potassium Cation → N-(5-(4-acetylpiperazin-1-yl)pyridin-2-yl)-2-(4-(2-methylpyrimidin-4-yl)-3-(trifluoromethyl)phenyl)acetamide

HRID 798910
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HRID 798910 반응식
[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][N:7]([c:10]2[cH:11][cH:12][c:13]([NH:16][C:17]([CH2:18][c:19]3[cH:20][c:21]([C:34]([F:35])([F:36])[F:37])[c:22]([B:25]4[O:26][C:27]([CH3:28])([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33]4)[cH:23][cH:24]3)=[O:38])[n:14][cH:15]2)[CH2:8][CH2:9]1.[Cl:39][c:40]1[n:41][c:42]([CH3:46])[n:43][cH:44][cH:45]1.[K+:52].[K+:53].[K+:54].[P:47]([O-:48])([O-:49])([O-:50])=[O:51]>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][N:7]([c:10]2[cH:11][cH:12][c:13]([NH:16][C:17]([CH2:18][c:19]3[cH:20][c:21]([C:34]([F:35])([F:36])[F:37])[c:22](-[c:40]4[n:41][c:42]([CH3:46])[n:43][cH:44][cH:45]4)[cH:23][cH:24]3)=[O:38])[n:14][cH:15]2)[CH2:8][CH2:9]1
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반응물 4

HCID 813Potassium Cation3회HCID 1061PhosphateHCID 4244474-Chloro-2-methylpyrimidineHCID 58447853N-(5-(4-acetylpiperazin-1-yl)pyridin-2-yl)-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)phenyl)acetamide

생성물 1

HCID 58447882N-(5-(4-acetylpiperazin-1-yl)pyridin-2-yl)-2-(4-(2-methylpyrimidin-4-yl)-3-(trifluoromethyl)phenyl)acetamide

출처 및 근거

ORD 기록
ord-2fbe25ecd5764a6397f5db192047b0b8
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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