Acetate → Tert-butyl 4-{2-[(5'-isopropyl-2'-methoxy-4-trifluoromethyl-biphenyl-2-ylmethyl)-amino]-pyrimidin-5-yloxy}-butyrate

HRID 672286Notes

Reaction equation

HRID 672286 reaction equation
[C:119]([O-:120])(=[O:121])[CH3:122].[C:124]([O-:125])(=[O:126])[CH3:127].[CH2:102]([N+:103]([CH2:104][CH2:105][CH2:106][CH3:107])([CH2:108][CH2:109][CH2:110][CH3:111])[CH2:112][CH2:113][CH2:114][CH3:115])[CH2:116][CH2:117][CH3:118].[CH3:88][C:89]([CH3:90])([O-:91])[CH3:92].[CH3:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([O:22][CH3:23])[c:8](-[c:10]2[c:11]([CH2:20][NH2:21])[cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[cH:9]1.[Cl:24][c:25]1[n:26][cH:27][c:28]([O:31][CH2:32][CH2:33][CH2:34][C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[cH:29][n:30]1.[I-:101].[Na+:93].[Pd+2:123].[c:42]1([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][c:53]3[c:54]([cH:55][cH:56][cH:57][cH:58]3)[c:59]2-[c:60]2[c:61]3[c:62]([cH:63][cH:64][cH:65][cH:66]3)[cH:67][cH:68][c:69]2[P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[cH:83][cH:84][cH:85][cH:86][cH:87]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([O:22][CH3:23])[c:8](-[c:10]2[c:11]([CH2:20][NH:21][c:25]3[n:26][cH:27][c:28]([O:31][CH2:32][CH2:33][CH2:34][C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[cH:29][n:30]3)[cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[cH:9]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 923Sodium ionHCID 1140TolueneHCID 16028TetrabutylammoniumHCID 30165Iodide IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 45749132-Methylpropan-2-olateHCID 57556051Tert-butyl 4-(2-chloro-pyrimidin-5-yloxy)-butyrateHCID 591351271-[5'-Isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]methanamine

Product 1

HCID 66603218Tert-butyl 4-{2-[(5'-isopropyl-2'-methoxy-4-trifluoromethyl-biphenyl-2-ylmethyl)-amino]-pyrimidin-5-yloxy}-butyrate

Sources & evidence

ORD record
ord-aa0d37a715ea4090843af07affcf84c3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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