Sodium ion → 3-[4-methoxymethyl-1-(2-trimethylsilanyl-ethoxymethyl)-1H-benzoimidazol-2-yl]-5-(4-methyl-pyridin-3-yl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrazolo[3,4-b]pyridine

HRID 87096

Reaction equation

HRID 87096 reaction equation
[Br:53][c:54]1[cH:55][n:56][cH:57][cH:58][c:59]1[CH3:60].[CH3:7][O:8][CH2:9][c:10]1[cH:11][cH:12][cH:13][c:14]2[n:15]([CH2:45][O:46][CH2:47][CH2:48][Si:49]([CH3:50])([CH3:51])[CH3:52])[c:16](-[c:19]3[n:20][n:21]([CH2:37][O:38][CH2:39][CH2:40][Si:41]([CH3:42])([CH3:43])[CH3:44])[c:22]4[n:23][cH:24][c:25]([B:28]5[O:29][C:30]([CH3:31])([CH3:32])[C:33]([CH3:34])([CH3:35])[O:36]5)[cH:26][c:27]34)[n:17][c:18]12.[Na+:1].[Na+:2].[O-:3][C:4](=[O:5])[O-:6].[O:62]1[CH2:63][CH2:64][O:65][CH2:66][CH2:67]1.[OH2:61].[cH:68]1[cH:69][cH:70][c:71]([P:72]([Pd:73]([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([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)([P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([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)[P:112]([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)([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)[cH:143][cH:144]1>>[CH3:7][O:8][CH2:9][c:10]1[cH:11][cH:12][cH:13][c:14]2[n:15]([CH2:45][O:46][CH2:47][CH2:48][Si:49]([CH3:50])([CH3:51])[CH3:52])[c:16](-[c:19]3[n:20][n:21]([CH2:37][O:38][CH2:39][CH2:40][Si:41]([CH3:42])([CH3:43])[CH3:44])[c:22]4[n:23][cH:24][c:25](-[c:54]5[cH:55][n:56][cH:57][cH:58][c:59]5[CH3:60])[cH:26][c:27]34)[n:17][c:18]12

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 8176303-Bromo-4-methylpyridineHCID 575811133-[4-methoxymethyl-1-(2-trimethylsilanyl-ethoxymethyl)-1H-benzoimidazol-2-yl]-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrazolo[3,4-b]pyridineHCID 178420554HCID 178420554, compound

Product 1

HCID 688869563-[4-methoxymethyl-1-(2-trimethylsilanyl-ethoxymethyl)-1H-benzoimidazol-2-yl]-5-(4-methyl-pyridin-3-yl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrazolo[3,4-b]pyridine

Sources & evidence

ORD record
ord-ecc438e152414a95852224db13597452
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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