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

HRID 185353Notes

Reaction equation

HRID 185353 reaction equation
[C:60](=[O:61])([O-:62])[O-:63].[Cl-:53].[F:1][c:2]1[c:3](-[c:20]2[c:21](=[O:34])[n:22]([CH3:33])[c:23]([NH:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[n:24][cH:25]2)[cH:4][c:5]([F:19])[c:6]([O:8][c:9]2[c:10]3[c:11]([n:12][cH:13][cH:14]2)[cH:15][c:16]([I:18])[s:17]3)[cH:7]1.[Li+:52].[Na+:64].[Na+:65].[O:35]1[CH2:36][CH2:37][N:38]([C:41](=[O:42])[c:43]2[cH:44][cH:45][c:46]([B:49]([OH:50])[OH:51])[cH:47][cH:48]2)[CH2:39][CH2:40]1.[O:54]1[CH2:55][CH2:56][O:57][CH2:58][CH2:59]1.[cH:66]1[cH:67][cH:68][c:69]([P:70]([Pd:71]([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[P:110]([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)([c:129]2[cH:130][cH:131][cH:132][cH:133][cH:134]2)[c:135]2[cH:136][cH:137][cH:138][cH:139][cH:140]2)[cH:141][cH:142]1>>[F:1][c:2]1[c:3](-[c:20]2[c:21](=[O:34])[n:22]([CH3:33])[c:23]([NH:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[n:24][cH:25]2)[cH:4][c:5]([F:19])[c:6]([O:8][c:9]2[c:10]3[c:11]([n:12][cH:13][cH:14]2)[cH:15][c:16](-[c:46]2[cH:45][cH:44][c:43]([C:41]([N:38]4[CH2:37][CH2:36][O:35][CH2:40][CH2:39]4)=[O:42])[cH:48][cH:47]2)[s:17]3)[cH:7]1

Participants

9

Reactant 8

HCID 312ChlorideHCID 923Sodium ion2×HCID 19660Carbonate IonHCID 28486Lithium ionHCID 312751,4-DioxaneHCID 2773546[4-(Morpholine-4-carbonyl)phenyl]boronic acidHCID 673481795-(2,5-difluoro-4-(2-iodothieno[3,2-b]pyridin-7-yloxy)phenyl)-3-methyl-2-(phenylamino)pyrimidin-4(3H)-oneHCID 178420554HCID 178420554, compound

Product 1

HCID 589495355-(2,5-difluoro-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-5de0b0ad4e5846a99c2c3a09a32d9924
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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