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Potassium Cation → 5-[3,5-Bis(trifluoromethyl)phenyl]-3-[[2-(2-chloro-4-fluoro-5-propan-2-ylphenyl)-5-methylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one

HRID 1211013
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HRID 1211013 반응식
[CH2:48]1[O:49][CH2:50][CH2:51][O:52][CH2:53]1.[Cl:32][c:33]1[c:34]([B:43]([OH:44])[OH:45])[cH:35][c:36]([CH:40]([CH3:41])[CH3:42])[c:37]([F:39])[cH:38]1.[Cl:54][Pd:55][Cl:56].[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]2[CH:14]([CH3:29])[N:15]([CH2:19][c:20]3[c:21]([Br:28])[cH:22][cH:23][c:24]([S:26][CH3:27])[cH:25]3)[C:16](=[O:18])[O:17]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:30])[F:31].[K+:47].[OH-:46]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]2[CH:14]([CH3:29])[N:15]([CH2:19][c:20]3[c:21](-[c:34]4[c:33]([Cl:32])[cH:38][c:37]([F:39])[c:36]([CH:40]([CH3:41])[CH3:42])[cH:35]4)[cH:22][cH:23][c:24]([S:26][CH3:27])[cH:25]3)[C:16](=[O:18])[O:17]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:30])[F:31]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 813Potassium CationHCID 961HydroxideHCID 24290Palladium ChlorideHCID 312751,4-DioxaneHCID 66716668(2-Chloro-4-fluoro-5-isopropylphenyl)boronic acidHCID 725259885-[3,5-Bis(trifluoromethyl)phenyl]-3-[(2-bromo-5-methylsulfanylphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one

생성물 1

HCID 73061609
5-[3,5-Bis(trifluoromethyl)phenyl]-3-[[2-(2-chloro-4-fluoro-5-propan-2-ylphenyl)-5-methylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one

출처 및 근거

ORD 기록
ord-dcd03c7e768144b586e4e4756d9b95f4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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