Potassium Cation → 4-(5-(4-(Difluoromethoxy)phenyl)pyrimidin-2-ylamino)benzoic acid

HRID 695080

Reaction equation

HRID 695080 reaction equation
[Br:1][c:2]1[cH:3][n:4][c:5]([NH:8][c:9]2[cH:10][cH:11][c:12]([C:13](=[O:14])[OH:15])[cH:16][cH:17]2)[n:6][cH:7]1.[CH2:43]1[O:44][CH2:45][CH2:46][O:47][CH2:48]1.[F:18][CH:19]([O:20][c:21]1[cH:22][cH:23][c:24]([B:27]2[O:28][C:29]([CH3:30])([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35]2)[cH:25][cH:26]1)[F:36].[K+:37].[K+:38].[O-:39][C:40]([O-:41])=[O:42].[cH:49]1[cH:50][cH:51][c:52]([P:53]([Pd:54]([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)[P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[cH:124][cH:125]1>>[c:2]1(-[c:24]2[cH:23][cH:22][c:21]([O:20][CH:19]([F:18])[F:36])[cH:26][cH:25]2)[cH:3][n:4][c:5]([NH:8][c:9]2[cH:10][cH:11][c:12]([C:13](=[O:14])[OH:15])[cH:16][cH:17]2)[n:6][cH:7]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 220323032-(4-(Difluoromethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneHCID 585423154-[(5-Bromopyrimidin-2-yl)amino]benzoic acidHCID 178420554HCID 178420554, compound

Product 1

HCID 585422304-(5-(4-(Difluoromethoxy)phenyl)pyrimidin-2-ylamino)benzoic acid

Sources & evidence

ORD record
ord-cc741a4cc13b4ba89d04016b192982c0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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