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

HRID 1201911Notes

Reaction equation

HRID 1201911 reaction equation
[BH:15]([O-:16])[O:23][c:17]1[n:18][cH:19][cH:20][cH:21][cH:22]1.[CH3:128][CH2:129][O:130][C:131](=[O:132])[CH3:133].[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.[OH2:134].[Pd:49].[c:107]1([P:108]([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[cH:121][cH:122][cH:123][cH:124][cH:125]1.[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.[c:50]1([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65][cH:66][cH:67][cH:68]1.[c:69]1([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[cH:83][cH:84][cH:85][cH:86][cH:87]1.[c:88]1([P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[cH:102][cH:103][cH:104][cH:105][cH:106]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 11776Triphenylphosphine5×HCID 19660Carbonate IonHCID 23938PalladiumHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 312751,4-DioxaneHCID 227212146-Fluoro-2-iodo-3,4-dimethoxybenzonitrileHCID 178514833HCID 178514833, compound

Product 1

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

Sources & evidence

ORD record
ord-bf051dec7ff14084ab9cf8c3a15df4d7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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