Potassium Cation → 3-Fluoro-5-(5-((2-methylthiazol-4-yl)ethynyl)pyridin-2-yl)benzonitrile

HRID 696777Notes

Reaction equation

HRID 696777 reaction equation
[C:34](=[O:35])([O-:36])[O-:37].[CH3:81][O:82][CH2:83][CH2:84][O:85][CH3:86].[Cl:1][c:2]1[n:3][cH:4][c:5]([C:8]#[C:9][c:10]2[n:11][c:12]([CH3:15])[s:13][cH:14]2)[cH:6][cH:7]1.[F:16][c:17]1[cH:18][c:19]([C:20]#[N:21])[cH:22][c:23]([B:25]2[O:26][C:27]([CH3:28])([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33]2)[cH:24]1.[K+:38].[K+:39].[OH2:87].[Pd:40]([Cl:41])[Cl:42].[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1.[c:62]1([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77][cH:78][cH:79][cH:80]1>>[c:2]1(-[c:23]2[cH:22][c:19]([C:20]#[N:21])[cH:18][c:17]([F:16])[cH:24]2)[n:3][cH:4][c:5]([C:8]#[C:9][c:10]2[n:11][c:12]([CH3:15])[s:13][cH:14]2)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 115649112-Chloro-5-[(2-methyl-4-thiazolyl)ethynyl]pyridineHCID 467381943-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

Product 1

HCID 166629483-Fluoro-5-(5-((2-methylthiazol-4-yl)ethynyl)pyridin-2-yl)benzonitrile

Sources & evidence

ORD record
ord-5c54cbb4b15543a5b335621391635052
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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