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Benzonitrile → 2-Methyl-2-trifluoromethylperfluoropentane

HRID 201773
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HRID 201773 반응식
[CH3:26][N:27]([S+:28]([N:29]([CH3:30])[CH3:31])[N:32]([CH3:33])[CH3:34])[CH3:35].[CH3:36][N:37]([CH3:38])[S+:39]([N:40]([CH3:41])[CH3:42])[N:43]([CH3:44])[CH3:45].[CH3:46][Si-:47]([CH3:48])([F:49])([F:50])[CH3:51].[F:52][C:53]([F:54])([F:55])[C:56]([C:57]([F:58])([F:59])[F:60])=[C:61]([F:62])[C:63]([F:64])([F:65])[C:66]([F:67])([F:68])[F:69].[F:7][C:8]([C-:9]([C:10]([C:11]([C:12]([F:13])([F:14])[F:15])([F:16])[F:17])([F:18])[F:19])[C:20]([F:21])([F:22])[F:23])([F:24])[F:25].[N:70]#[C:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[S:1]([F:2])([O:3][CH3:4])(=[O:5])=[O:6]>>[F:7][C:8]([C:9]([C:10]([C:11]([C:12]([F:13])([F:14])[F:15])([F:16])[F:17])([F:18])[F:19])([C:20]([F:21])([F:22])[F:23])[CH3:26])([F:24])[F:25]
참가 물질출처 및 근거반응 노트

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7

반응물 6

HCID 7505BenzonitrileHCID 9870Methyl fluorosulfateHCID 74105Perfluoro(2-methyl-2-pentene)HCID 2758495Difluoro(trimethyl)silanuideHCID 4398340Tris(dimethylamino)sulfanium2회HCID 127511961,1,1,3,3,4,4,5,5,5-Decafluoro-2-(trifluoromethyl)pentan-2-ide

생성물 1

HCID 11515508
2-Methyl-2-trifluoromethylperfluoropentane

출처 및 근거

ORD 기록
ord-0688751af22144fe8c2a47f9fe188aa4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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