Potassium Cation → 3'-Amino-6,2',6'-trifluorobiphenyl-2-carbonitrile

HRID 201536Notes

Reaction equation

HRID 201536 reaction equation
[Br:1][c:2]1[c:3]([F:10])[c:4]([NH2:9])[cH:5][cH:6][c:7]1[F:8].[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:11][c:12]1[c:13]([B:20]2[O:21][C:22]([CH3:23])([CH3:24])[C:25]([CH3:26])([CH3:27])[O:28]2)[c:14]([C:15]#[N:16])[cH:17][cH:18][cH:19]1.[K+:30].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[O:57]=[C:58]([CH:59]=[CH:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1)[CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[O:75]=[C:76]([CH:77]=[CH:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1)[CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1.[O:93]=[C:94]([CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1)[CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1.[Pd:55].[Pd:56]>>[c:2]1(-[c:13]2[c:12]([F:11])[cH:19][cH:18][cH:17][c:14]2[C:15]#[N:16])[c:3]([F:10])[c:4]([NH2:9])[cH:5][cH:6][c:7]1[F:8]

Participants

10

Reactant 9

HCID 813Potassium CationHCID 8028TetrahydrofuranHCID 23938Palladium2×HCID 28179Fluoride IonHCID 312751,4-DioxaneHCID 83681Tris(1,1-dimethylethyl)phosphineHCID 95417Dibenzylidene acetone3×HCID 137327463-Bromo-2,4-difluoroanilineHCID 222401043-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

Product 1

HCID 222400923'-Amino-6,2',6'-trifluorobiphenyl-2-carbonitrile

Sources & evidence

ORD record
ord-43257af529e8483492df90fa0b09ba50
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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