Sodium ion → 6-Fluoro-3,4-dimethoxy-2-(2-pyridyl)benzonitrile

HRID 208857Notes

Reaction equation

HRID 208857 reaction equation
[BH:15]([O-:16])[O:23][c:17]1[n:18][cH:19][cH:20][cH:21][cH:22]1.[CH3:129][CH2:130][O:131][C:132](=[O:133])[CH3:134].[Cu:126][I:127].[F:1][c:2]1[cH:3][c:4]([O:13][CH3:14])[c:5]([O:11][CH3:12])[c:6]([I:10])[c:7]1[C:8]#[N:9].[Na+:24].[Na+:25].[O-:26][C:27](=[O:28])[O-:29].[O:135]1[CH2:136][CH2:137][O:138][CH2:139][CH2:140]1.[OH2:128].[c:30]1([P:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:44][cH:45][cH:46][cH:47][cH:48]1.[cH:49]1[cH:50][cH:51][c:52]([P:53]([Pd:54]([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[cH:124][cH:125]1>>[F:1][c:2]1[cH:3][c:4]([O:13][CH3:14])[c:5]([O:11][CH3:12])[c:6](-[c:17]2[n:18][cH:19][cH:20][cH:21][cH:22]2)[c:7]1[C:8]#[N:9]

Participants

11

Reactant 10

HCID 923Sodium ion2×HCID 962WaterHCID 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 312751,4-DioxaneHCID 227212146-Fluoro-2-iodo-3,4-dimethoxybenzonitrileHCID 178420554HCID 178420554, compoundHCID 178514833HCID 178514833, compound

Product 1

HCID 98138056-Fluoro-3,4-dimethoxy-2-(2-pyridyl)benzonitrile

Sources & evidence

ORD record
ord-0839495b18a6467b95427aea66d25daa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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