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

HRID 102347Notes

Reaction equation

HRID 102347 reaction equation
[C:68](=[O:69])([O-:70])[O-:71].[CH:1]1([CH2:7][c:8]2[n:9][cH:10][c:11](-[c:16]3[cH:17][c:18]([F:42])[c:19]([O:22][c:23]4[c:24]5[c:25]([n:26][cH:27][cH:28]4)[n:29]([CH2:33][c:34]4[cH:35][cH:36][c:37]([O:40][CH3:41])[cH:38][cH:39]4)[n:30][c:31]5[I:32])[cH:20][cH:21]3)[c:12](=[O:15])[n:13]2[CH3:14])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl-:61].[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>>[CH:1]1([CH2:7][c:8]2[n:9][cH:10][c:11](-[c:16]3[cH:17][c:18]([F:42])[c:19]([O:22][c:23]4[c:24]5[c:25]([n:26][cH:27][cH:28]4)[n:29]([CH2:33][c:34]4[cH:35][cH:36][c:37]([O:40][CH3:41])[cH:38][cH:39]4)[n:30][c:31]5-[c:54]4[cH:53][cH:52][c:51]([C:49]([N:46]5[CH2:45][CH2:44][O:43][CH2:48][CH2:47]5)=[O:50])[cH:56][cH:55]4)[cH:20][cH:21]3)[c:12](=[O:15])[n:13]2[CH3:14])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]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 685170452-(cyclohexylmethyl)-5-(3-fluoro-4-(3-iodo-1-(4-methoxybenzyl)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl)-3-methylpyrimidin-4(3H)-oneHCID 178420554HCID 178420554, compound

Product 1

HCID 685153872-(cyclohexylmethyl)-5-(3-fluoro-4-(1-(4-methoxybenzyl)-3-(4-(morpholine-4-carbonyl)phenyl)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl)-3-methylpyrimidin-4(3H)-one

Sources & evidence

ORD record
ord-c797d52d024449fca48dab6b73c0c1cf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…