Bicarbonate Ion → (3,5-Bis-trifluoromethyl-benzyl)-(2-fluoro-5-trifluoromethyl-benzyl)-(5-morpholin-4-yl-pyrimidin-2-yl)-amine

HRID 295895Notes

Reaction equation

HRID 295895 reaction equation
[C:36]([P:37]([C:38]([CH3:39])([CH3:40])[CH3:41])[c:42]1[cH:43][cH:44][cH:45][cH:46][c:47]1-[c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)([CH3:54])([CH3:55])[CH3:56].[C:69](=[O:70])([OH:71])[O-:72].[CH2:63]1[CH2:64][O:65][CH2:66][CH2:67][NH:68]1.[CH3:137][CH2:138][O:139][C:140](=[O:141])[CH3:142].[CH3:57][C:58]([CH3:59])([O-:60])[CH3:61].[CH3:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([CH2:8][c:9]2[c:10]([F:19])[cH:11][cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]2)[c:20]2[n:21][cH:22][c:23]([Br:26])[cH:24][n:25]2)[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]1)([F:34])[F:35].[Na+:62].[Na+:73].[O:101]=[C:102]([CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1)[CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1.[O:119]=[C:120]([CH:121]=[CH:122][c:123]1[cH:124][cH:125][cH:126][cH:127][cH:128]1)[CH:129]=[CH:130][c:131]1[cH:132][cH:133][cH:134][cH:135][cH:136]1.[O:83]=[C:84]([CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1)[CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[Pd:81].[Pd:82]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([CH2:8][c:9]2[c:10]([F:19])[cH:11][cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]2)[c:20]2[n:21][cH:22][c:23]([N:68]3[CH2:63][CH2:64][O:65][CH2:66][CH2:67]3)[cH:24][n:25]2)[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]1)([F:34])[F:35]

Participants

11

Reactant 10

HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 1140TolueneHCID 8083MorpholineHCID 8857Ethyl AcetateHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 27342152-(Di-tert-butylphosphino)biphenylHCID 45749132-Methylpropan-2-olateHCID 86626777(3,5-Bis-trifluoromethyl-benzyl)-(5-bromo-pyrimidin-2-yl)-(2-fluoro-5-trifluoromethyl-benzyl)-amine

Product 1

HCID 86626778(3,5-Bis-trifluoromethyl-benzyl)-(2-fluoro-5-trifluoromethyl-benzyl)-(5-morpholin-4-yl-pyrimidin-2-yl)-amine

Sources & evidence

ORD record
ord-d0b0c18fff56441fa2293dc7a5f3e20a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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