Chloride → 5-(3-fluoro-4-(1-(4-methoxybenzyl)-3-(4-(morpholine-4-carbonyl)phenyl)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl)-3-methyl-2-(phenylamino)pyrimidin-4(3H)-one

HRID 304887Notes

Reaction equation

HRID 304887 reaction equation
[C:68](=[O:69])([O-:70])[O-:71].[Cl-:61].[F:1][c:2]1[cH:3][c:4](-[c:28]2[c:29](=[O:42])[n:30]([CH3:41])[c:31]([NH:34][c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[n:32][cH:33]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)[n:15]([CH2:19][c:20]1[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]1)[n:16][c:17]2[I:18].[Li+:60].[Na+:72].[Na+:73].[O:43]1[CH2:44][CH2:45][N:46]([C:49](=[O:50])[c:51]2[cH:52][cH:53][c:54]([B:57]([OH:58])[OH:59])[cH:55][cH:56]2)[CH2:47][CH2:48]1.[O:62]1[CH2:63][CH2:64][O:65][CH2:66][CH2:67]1.[cH:74]1[cH:75][cH:76][c:77]([P:78]([Pd:79]([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([P:99]([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[P:118]([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)([c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)([c:137]2[cH:138][cH:139][cH:140][cH:141][cH:142]2)[c:143]2[cH:144][cH:145][cH:146][cH:147][cH:148]2)[cH:149][cH:150]1>>[F:1][c:2]1[cH:3][c:4](-[c:28]2[c:29](=[O:42])[n:30]([CH3:41])[c:31]([NH:34][c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[n:32][cH:33]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)[n:15]([CH2:19][c:20]1[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]1)[n:16][c:17]2-[c:54]1[cH:53][cH:52][c:51]([C:49]([N:46]2[CH2:45][CH2:44][O:43][CH2:48][CH2:47]2)=[O:50])[cH:56][cH:55]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 685142125-(3-fluoro-4-(3-iodo-1-(4-methoxybenzyl)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl)-3-methyl-2-(phenylamino)pyrimidin-4(3H)-oneHCID 178420554HCID 178420554, compound

Product 1

HCID 685121275-(3-fluoro-4-(1-(4-methoxybenzyl)-3-(4-(morpholine-4-carbonyl)phenyl)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl)-3-methyl-2-(phenylamino)pyrimidin-4(3H)-one

Sources & evidence

ORD record
ord-fa0ad0e46dfc4521b98edf89d1243923
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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