Sodium ion → Pyrazolo[3,4-d]pyrimidine 11

HRID 2126732Notes

Reaction equation

HRID 2126732 reaction equation
[CH3:25][O:26][c:27]1[cH:28][c:29]([B:44]([OH:45])[OH:46])[cH:30][cH:31][c:32]1[NH:33][C:34]([CH2:35][CH2:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)=[O:43].[CH3:53][O:54][CH2:55][CH2:56][O:57][CH3:58].[I:1][c:2]1[n:3][n:4]([CH:12]2[CH2:13][CH2:14][CH:15]([N:18]3[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[CH2:16][CH2:17]2)[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12.[Na+:47].[Na+:48].[O-:49][C:50](=[O:51])[O-:52].[OH2:59].[cH:60]1[cH:61][cH:62][c:63]([P:64]([Pd:65]([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([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)([P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([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)[P:104]([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)([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)[cH:135][cH:136]1>>[c:2]1(-[c:29]2[cH:28][c:27]([O:26][CH3:25])[c:32]([NH:33][C:34]([CH2:35][CH2:36][c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)=[O:43])[cH:31][cH:30]2)[n:3][n:4]([CH:12]2[CH2:13][CH2:14][CH:15]([N:18]3[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[CH2:16][CH2:17]2)[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 208170473-iodo-1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amineHCID 223471743-Methoxy-4-[(3-phenylpropanoyl)amino]phenylboronic acidHCID 178420554HCID 178420554, compound

Product 1

HCID 6539962Pyrazolo[3,4-d]pyrimidine 11

Sources & evidence

ORD record
ord-35d64f427b7e499a85ce34353f6c91f3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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