Cyanide → 2-Chloro-4-fluoro-5-methylbenzonitrile

HRID 1147222Notes

Reaction equation

HRID 1147222 reaction equation
[Br:1][c:2]1[c:3]([Cl:10])[cH:4][c:5]([F:9])[c:6]([CH3:8])[cH:7]1.[C-:93]#[N:94].[C-:96]#[N:97].[CH3:11][N:12]([CH3:13])[CH:14]=[O:15].[Zn+2:95].[cH:16]1[cH:17][cH:18][c:19]([P:20]([Pd:21]([P:22]([c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[cH:91][cH:92]1>>[c:2]1([C:11]#[N:12])[c:3]([Cl:10])[cH:4][c:5]([F:9])[c:6]([CH3:8])[cH:7]1

Participants

6

Reactant 5

HCID 5975Cyanide2×HCID 6228DimethylformamideHCID 32051Zinc(2+)HCID 27732735-Bromo-4-chloro-2-fluorotolueneHCID 178420554HCID 178420554, compound

Product 1

HCID 569655632-Chloro-4-fluoro-5-methylbenzonitrile

Sources & evidence

ORD record
ord-fa611ecac909407f9f4eff702e245d24
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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