Sodium ion → Ethyl (2-{[(3,5-bis-trifluoromethyl-benzyl)-(5-morpholin-4-yl-pyrimidin-2-yl)-amino]-methyl}-4-trifluoromethyl-phenyl)-carbamate

HRID 2125668Notes

Reaction equation

HRID 2125668 reaction equation
[C:41]([P:42]([C:43]([CH3:44])([CH3:45])[CH3:46])[c:47]1[cH:48][cH:49][cH:50][cH:51][c:52]1-[c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1)([CH3:59])([CH3:60])[CH3:61].[CH2:62]1[CH2:63][O:64][CH2:65][CH2:66][NH:67]1.[CH3:68][C:69]([CH3:70])([O-:71])[CH3:72].[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]([c:8]2[n:9][cH:10][c:11]([Br:14])[cH:12][n:13]2)[CH2:15][c:16]2[c:17]([NH:26][C:27]([O:28][CH2:29][CH3:30])=[O:31])[cH:18][cH:19][c:20]([C:22]([F:23])([F:24])[F:25])[cH:21]2)[cH:32][c:33]([C:35]([F:36])([F:37])[F:38])[cH:34]1)([F:39])[F:40].[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]([c:8]2[n:9][cH:10][c:11]([N:67]3[CH2:62][CH2:63][O:64][CH2:65][CH2:66]3)[cH:12][n:13]2)[CH2:15][c:16]2[c:17]([NH:26][C:27]([O:28][CH2:29][CH3:30])=[O:31])[cH:18][cH:19][c:20]([C:22]([F:23])([F:24])[F:25])[cH:21]2)[cH:32][c:33]([C:35]([F:36])([F:37])[F:38])[cH:34]1)([F:39])[F:40]

Participants

9

Reactant 8

HCID 923Sodium ionHCID 1140TolueneHCID 8083MorpholineHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 27342152-(Di-tert-butylphosphino)biphenylHCID 45749132-Methylpropan-2-olateHCID 86626802Ethyl (2-{[(3,5-bis-trifluoromethyl-benzyl)-(5-bromo-pyrimidin-2-yl)-amino]-methyl}-4-trifluoromethyl-phenyl)-carbamate

Product 1

HCID 86626804Ethyl (2-{[(3,5-bis-trifluoromethyl-benzyl)-(5-morpholin-4-yl-pyrimidin-2-yl)-amino]-methyl}-4-trifluoromethyl-phenyl)-carbamate

Sources & evidence

ORD record
ord-d6ea1b2c2b184e4f920f5548d8da2913
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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