Dimethylformamide → Methyl 4-cyano-2-fluorobenzoate

HRID 107320Notes

Reaction equation

HRID 107320 reaction equation
[Br:1][c:2]1[cH:3][c:4]([F:12])[c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1.[CH3:13][N:14]([CH3:15])[CH:16]=[O:17].[Pd:94].[c:18]1([P:19]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:32][cH:33][cH:34][cH:35][cH:36]1.[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1.[c:56]1([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[cH:70][cH:71][cH:72][cH:73][cH:74]1.[c:75]1([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[cH:89][cH:90][cH:91][cH:92][cH:93]1>>[c:2]1([C:13]#[N:14])[cH:3][c:4]([F:12])[c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1

Participants

5

Reactant 4

HCID 6228DimethylformamideHCID 11776Triphenylphosphine4×HCID 23938PalladiumHCID 113453114-Bromo-2-fluoro-benzoic acid methyl ester

Product 1

HCID 15278726Methyl 4-cyano-2-fluorobenzoate

Sources & evidence

ORD record
ord-41a4a994264e4933add6150d40cf96ae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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