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Ethanol → N-[3-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-phenyl]-methanesulfonamide

HRID 174789
Notes
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Reaction equation

HRID 174789 reaction equation
[C:29](=[O:30])([O-:31])[O-:32].[CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:6]1[cH:7][c:8]([B:12]([OH:13])[OH:14])[cH:9][cH:10][cH:11]1.[CH3:35][CH2:36][OH:37].[CH3:38][O:39][CH2:40][CH2:41][O:42][CH3:43].[I:15][c:16]1[n:17][n:18]([CH:26]([CH3:27])[CH3:28])[c:19]2[n:20][cH:21][n:22][c:23]([NH2:25])[c:24]12.[Na+:33].[Na+:34].[cH:44]1[cH:45][cH:46][c:47]([P:48]([Pd:49]([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[cH:119][cH:120]1>>[CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:6]1[cH:7][c:8](-[c:16]2[n:17][n:18]([CH:26]([CH3:27])[CH3:28])[c:19]3[n:20][cH:21][n:22][c:23]([NH2:25])[c:24]23)[cH:9][cH:10][cH:11]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 702EthanolHCID 923Sodium Ion2×HCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 27735353-Methylsulfonylaminophenylboronic acidHCID 249053373-iodo-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
HCID 178420554
HCID 178420554, compound

Product 1

HCID 24905159N-[3-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-phenyl]-methanesulfonamide

Sources & evidence

ORD record
ord-51340cd035024891b820052bba16a971
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes