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Potassium Cation → 2'-Fluoro-5'-nitrobiphenyl-2-carbonitrile

HRID 105011
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HRID 105011 반응식
[Br:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][cH:7][cH:8][cH:9]1.[C:31]([P:32]([C:33]([CH3:34])([CH3:35])[CH3:36])[C:37]([CH3:38])([CH3:39])[CH3:40])([CH3:41])([CH3:42])[CH3:43].[CH2:49]1[O:50][CH2:51][CH2:52][O:53][CH2:54]1.[F-:29].[F:10][c:11]1[c:12]([B:20]2[O:21][C:22]([CH3:23])([CH3:24])[C:25]([CH3:26])([CH3:27])[O:28]2)[cH:13][c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]1.[K+:30].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[O:58]=[C:59]([CH:60]=[CH:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1)[CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[O:76]=[C:77]([CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1)[CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[O:94]=[C:95]([CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1)[CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1.[OH2:55].[Pd:56].[Pd:57]>>[c:2]1(-[c:12]2[c:11]([F:10])[cH:16][cH:15][c:14]([N+:17](=[O:18])[O-:19])[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

11

반응물 10

HCID 813Potassium CationHCID 962WaterHCID 8028TetrahydrofuranHCID 162722-BromobenzonitrileHCID 23938Palladium2회HCID 28179Fluoride IonHCID 312751,4-DioxaneHCID 83681
Tris(1,1-dimethylethyl)phosphine
HCID 95417Dibenzylidene acetone3회
HCID 38332972-Fluoro-5-nitrophenylboronic acid, pinacol ester

생성물 1

HCID 114478612'-Fluoro-5'-nitrobiphenyl-2-carbonitrile

출처 및 근거

ORD 기록
ord-0589824fdd0f4a40811ced5301318a57
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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