Potassium Cation → 2-Chloro-4-(4-(trifluoromethyl)phenyl)pyrimidine

HRID 2128843Notes

Reaction equation

HRID 2128843 reaction equation
[CH3:30][O:31][CH2:32][CH2:33][O:34][CH3:35].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([Cl:8])[n:7]1.[F:9][C:10]([c:11]1[cH:12][cH:13][c:14]([B:17]([OH:18])[OH:19])[cH:15][cH:16]1)([F:20])[F:21].[K+:27].[K+:28].[K+:29].[OH2:113].[P:22]([O-:23])([O-:24])([O-:25])=[O:26].[cH:36]1[cH:37][cH:38][c:39]([P:40]([Pd:41]([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([P:61]([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)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[P:80]([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)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[cH:111][cH:112]1>>[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:14]2[cH:13][cH:12][c:11]([C:10]([F:9])([F:20])[F:21])[cH:16][cH:15]2)[n:7]1

Participants

8

Reactant 7

HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 80711,2-DimethoxyethaneHCID 775312,4-DichloropyrimidineHCID 27343894-(Trifluoromethyl)phenylboronic acidHCID 178420554HCID 178420554, compound

Product 1

HCID 218652762-Chloro-4-(4-(trifluoromethyl)phenyl)pyrimidine

Sources & evidence

ORD record
ord-970692c2a3fe4ffd81a62149a06fb583
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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