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

HRID 2126975Notes

Reaction equation

HRID 2126975 reaction equation
[C:43]([P:44]([C:45]([CH3:46])([CH3:47])[CH3:48])[c:49]1[cH:50][cH:51][cH:52][cH:53][c:54]1-[c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1)([CH3:61])([CH3:62])[CH3:63].[C:76](=[O:77])([OH:78])[O-:79].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH2:11][N:12]([c:13]2[n:14][cH:15][c:16]([Br:19])[cH:17][n:18]2)[CH2:20][c:21]2[cH:22][c:23]([C:31]([F:32])([F:33])[F:34])[cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]2)[cH:35][c:36]([C:39]([F:40])([F:41])[F:42])[cH:37][cH:38]1.[CH2:70]1[CH2:71][O:72][CH2:73][CH2:74][NH:75]1.[CH3:144][CH2:145][O:146][C:147](=[O:148])[CH3:149].[CH3:64][C:65]([CH3:66])([O-:67])[CH3:68].[CH3:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[Na+:69].[Na+:80].[O:108]=[C:109]([CH:110]=[CH:111][c:112]1[cH:113][cH:114][cH:115][cH:116][cH:117]1)[CH:118]=[CH:119][c:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]1.[O:126]=[C:127]([CH:128]=[CH:129][c:130]1[cH:131][cH:132][cH:133][cH:134][cH:135]1)[CH:136]=[CH:137][c:138]1[cH:139][cH:140][cH:141][cH:142][cH:143]1.[O:90]=[C:91]([CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)[CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1.[Pd:88].[Pd:89]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH2:11][N:12]([c:13]2[n:14][cH:15][c:16]([N:75]3[CH2:70][CH2:71][O:72][CH2:73][CH2:74]3)[cH:17][n:18]2)[CH2:20][c:21]2[cH:22][c:23]([C:31]([F:32])([F:33])[F:34])[cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]2)[cH:35][c:36]([C:39]([F:40])([F:41])[F:42])[cH:37][cH:38]1

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 86626822(2-Benzyloxy-5-trifluoromethyl-benzyl)-(3,5-bis-trifluoromethyl-benzyl)-(5-bromo-pyrimidin-2-yl)-amine

Product 1

HCID 86626833(2-Benzyloxy-5-trifluoromethyl-benzyl)-(3,5-bis-trifluoromethyl-benzyl)-(5-morpholin-4-yl-pyrimidin-2-yl)-amine

Sources & evidence

ORD record
ord-14ef0fe64c914b3a8d7eae44eaf21cca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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