Potassium Cation → 3'-Amino-4,2',6'-trifluorobiphenyl-2-carbonitrile

HRID 172652

Reaction equation

HRID 172652 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].[CH2:52]1[O:53][CH2:54][CH2:55][O:56][CH2:57]1.[F-:29].[F:11][c:12]1[cH:13][cH:14][c:15]([B:20]2[O:21][C:22]([CH3:23])([CH3:24])[C:25]([CH3:26])([CH3:27])[O:28]2)[c:16]([C:17]#[N:18])[cH:19]1.[K+:30].[Na+:45].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[O:60]=[C:61]([CH:62]=[CH:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1)[CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[O:78]=[C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)[CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[O:96]=[C:97]([CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1)[CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1.[OH-:44].[OH2:51].[Pd:58].[Pd:59]>>[c:2]1(-[c:15]2[cH:14][cH:13][c:12]([F:11])[cH:19][c:16]2[C:17]#[N:18])[c:3]([F:10])[c:4]([NH2:9])[cH:5][cH:6][c:7]1[F:8]

Participants

13

Reactant 12

HCID 813Potassium CationHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 23938Palladium2×HCID 28179Fluoride IonHCID 312751,4-DioxaneHCID 83681Tris(1,1-dimethylethyl)phosphineHCID 95417Dibenzylidene acetone3×HCID 137327463-Bromo-2,4-difluoroanilineHCID 221807905-Fluoro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

Product 1

HCID 222400973'-Amino-4,2',6'-trifluorobiphenyl-2-carbonitrile

Sources & evidence

ORD record
ord-ddea0a0949b6451295266220b3dac271
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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