Chloride → 5-(3-fluoro-4-(2-(4-(morpholine-4-carbonyl)phenyl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-3-methyl-2-(phenylamino)pyrimidin-4(3H)-one

HRID 205952Notes

Reaction equation

HRID 205952 reaction equation
[C:59](=[O:60])([O-:61])[O-:62].[Cl-:52].[F:1][c:2]1[cH:3][c:4](-[c:19]2[c:20](=[O:33])[n:21]([CH3:32])[c:22]([NH:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[n:23][cH:24]2)[cH:5][cH:6][c:7]1[O:8][c:9]1[c:10]2[c:11]([n:12][cH:13][cH:14]1)[cH:15][c:16]([I:18])[s:17]2.[Li+:51].[Na+:63].[Na+:64].[O:34]1[CH2:35][CH2:36][N:37]([C:40](=[O:41])[c:42]2[cH:43][cH:44][c:45]([B:48]([OH:49])[OH:50])[cH:46][cH:47]2)[CH2:38][CH2:39]1.[O:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1.[cH:65]1[cH:66][cH:67][c:68]([P:69]([Pd:70]([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[P:109]([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)([c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[c:134]2[cH:135][cH:136][cH:137][cH:138][cH:139]2)[cH:140][cH:141]1>>[F:1][c:2]1[cH:3][c:4](-[c:19]2[c:20](=[O:33])[n:21]([CH3:32])[c:22]([NH:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[n:23][cH:24]2)[cH:5][cH:6][c:7]1[O:8][c:9]1[c:10]2[c:11]([n:12][cH:13][cH:14]1)[cH:15][c:16](-[c:45]1[cH:44][cH:43][c:42]([C:40]([N:37]3[CH2:36][CH2:35][O:34][CH2:39][CH2:38]3)=[O:41])[cH:47][cH:46]1)[s:17]2

Participants

9

Reactant 8

HCID 312ChlorideHCID 923Sodium ion2×HCID 19660Carbonate IonHCID 28486Lithium ionHCID 312751,4-DioxaneHCID 2773546[4-(Morpholine-4-carbonyl)phenyl]boronic acidHCID 673484955-(3-fluoro-4-(2-iodothieno[3,2-b]pyridin-7-yloxy)phenyl)-3-methyl-2-(phenylamino)pyrimidin-4(3H)-oneHCID 178420554HCID 178420554, compound

Product 1

HCID 589494655-(3-fluoro-4-(2-(4-(morpholine-4-carbonyl)phenyl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-3-methyl-2-(phenylamino)pyrimidin-4(3H)-one

Sources & evidence

ORD record
ord-a1739c4127954a60a9b2e123d23f63cd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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