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Potassium Cation → 2-(2-Fluorophenyl)benzonitrile

HRID 111515
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HRID 111515 반응식
[Br:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][cH:7][cH:8][cH:9]1.[C:22]([P:23]([C:24]([CH3:25])([CH3:26])[CH3:27])[C:28]([CH3:29])([CH3:30])[CH3:31])([CH3:32])([CH3:33])[CH3:34].[CH2:35]1[O:36][CH2:37][CH2:38][CH2:39]1.[CH2:40]1[O:41][CH2:42][CH2:43][O:44][CH2:45]1.[F-:20].[F:10][c:11]1[c:12]([B:17]([OH:18])[OH:19])[cH:13][cH:14][cH:15][cH:16]1.[K+:21].[O:48]=[C:49]([CH:50]=[CH:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)[CH:58]=[CH:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[O:66]=[C:67]([CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1)[CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[O:84]=[C:85]([CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1)[CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1.[Pd:46].[Pd:47]>>[c:2]1(-[c:12]2[c:11]([F:10])[cH:16][cH:15][cH:14][cH:13]2)[c:3]([C:4]#[N:5])[cH:6][cH:7][cH:8][cH:9]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 813Potassium CationHCID 8028TetrahydrofuranHCID 162722-BromobenzonitrileHCID 23938Palladium2회HCID 28179Fluoride IonHCID 312751,4-DioxaneHCID 83681Tris(1,1-dimethylethyl)phosphine
HCID 95417
Dibenzylidene acetone
3회
HCID 27343542-Fluorophenylboronic acid

생성물 1

HCID 13933962-(2-Fluorophenyl)benzonitrile

출처 및 근거

ORD 기록
ord-49cc86e22a9a45a989b3a732801d73b0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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