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Methanesulfonic Acid → N-[3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine

HRID 1558061
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HRID 1558061 반응식
[CH3:35][S:36](=[O:37])(=[O:38])[OH:39].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[Cl:18][c:19]1[n:20][cH:21][cH:22][c:23]([C:25]([F:26])([F:27])[F:28])[n:24]1.[F:1][c:2]1[cH:3][c:4]([NH2:5])[cH:6][c:7]([B:9]2[O:10][C:11]([CH3:16])([CH3:17])[C:12]([CH3:14])([CH3:15])[O:13]2)[cH:8]1.[O:29]1[CH2:30][CH2:31][O:32][CH2:33][CH2:34]1>>[F:1][c:2]1[cH:3][c:4]([NH:5][c:19]2[n:20][cH:21][cH:22][c:23]([C:25]([F:26])([F:27])[F:28])[n:24]2)[cH:6][c:7]([B:9]2[O:10][C:11]([CH3:16])([CH3:17])[C:12]([CH3:14])([CH3:15])[O:13]2)[cH:8]1
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참가 물질

6

반응물 5

HCID 6395Methanesulfonic AcidHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 27739122-Chloro-4-(trifluoromethyl)pyrimidineHCID 597700393-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

생성물 1

HCID 58456086N-[3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine

출처 및 근거

ORD 기록
ord-47903f0be9a24442b45ba5d234201815
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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