Acetate → (3,5-Bis-trifluoromethyl-benzyl)-[2-(2,4-dimethoxy-pyrimidin-5-yl)-5-trifluoromethyl-benzyl]-[5-(2-methanesulfonyl-ethoxy)-pyrimidin-2-yl]-amine

HRID 95412Notes

Reaction equation

HRID 95412 reaction equation
[C:82]([O-:83])(=[O:84])[CH3:85].[C:87]([O-:88])(=[O:89])[CH3:90].[CH2:76]1[O:77][CH2:78][CH2:79][O:80][CH2:81]1.[CH3:49][O:50][c:51]1[n:52][cH:53][c:54]([B:59]([OH:60])[OH:61])[c:55]([O:57][CH3:58])[n:56]1.[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][c:11]([O:14][CH2:15][CH2:16][S:17](=[O:18])(=[O:19])[CH3:20])[cH:12][n:13]2)[CH2:21][c:22]2[c:23]([O:32][S:33]([C:34]([F:35])([F:36])[F:37])(=[O:38])=[O:39])[cH:24][cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]2)[cH:40][c:41]([C:43]([F:44])([F:45])[F:46])[cH:42]1)([F:47])[F:48].[K+:67].[K+:68].[K+:69].[OH2:91].[P:62]([O-:63])([O-:64])([O-:65])=[O:66].[Pd+2:86]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][c:11]([O:14][CH2:15][CH2:16][S:17](=[O:18])(=[O:19])[CH3:20])[cH:12][n:13]2)[CH2:21][c:22]2[c:23](-[c:54]3[cH:53][n:52][c:51]([O:50][CH3:49])[n:56][c:55]3[O:57][CH3:58])[cH:24][cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]2)[cH:40][c:41]([C:43]([F:44])([F:45])[F:46])[cH:42]1)([F:47])[F:48]

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2736209(2,4-Dimethoxypyrimidin-5-yl)boronic acidHCID 86626876HCID 86626876, compound

Product 1

HCID 23641905(3,5-Bis-trifluoromethyl-benzyl)-[2-(2,4-dimethoxy-pyrimidin-5-yl)-5-trifluoromethyl-benzyl]-[5-(2-methanesulfonyl-ethoxy)-pyrimidin-2-yl]-amine

Sources & evidence

ORD record
ord-cb47d876fe0349b8b3c3922d5b52d09c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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