Sodium ion → 4-Chloro-6-(4-(trifluoromethyl)phenyl)pyrimidine

HRID 1121094Notes

Reaction equation

HRID 1121094 reaction equation
[CH3:107][C:108]#[N:109].[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]([Cl:8])[cH: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].[N:28]#[N:29].[Na+:22].[Na+:23].[O-:24][C:25](=[O:26])[O-:27].[cH:30]1[cH:31][cH:32][c:33]([P:34]([Pd:35]([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)([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)([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([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)[P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([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)[cH:105][cH:106]1>>[Cl:1][c:2]1[n:3][cH:4][n: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)[cH:7]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 947NitrogenHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 709434,6-DichloropyrimidineHCID 27343894-(Trifluoromethyl)phenylboronic acidHCID 178420554HCID 178420554, compound

Product 1

HCID 167478374-Chloro-6-(4-(trifluoromethyl)phenyl)pyrimidine

Sources & evidence

ORD record
ord-13b1a96e03764cf4af0fb886060100a4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…