Ethanol → 1-[3-(4-Amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]ethanone
Reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][c:6]([B:10]([OH:11])[OH:12])[cH:7][cH:8][cH:9]1.[C:27](=[O:28])([O-:29])[O-:30].[CH3:33][CH2:34][OH:35].[CH3:36][O:37][CH2:38][CH2:39][O:40][CH3:41].[I:13][c:14]1[n:15][n:16]([CH:24]([CH3:25])[CH3:26])[c:17]2[n:18][cH:19][n:20][c:21]([NH2:23])[c:22]12.[Na+:31].[Na+:32].[cH:42]1[cH:43][cH:44][c:45]([P:46]([Pd:47]([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[P:86]([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)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([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)[cH:117][cH:118]1>>[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][c:6](-[c:14]2[n:15][n:16]([CH:24]([CH3:25])[CH3:26])[c:17]3[n:18][cH:19][n:20][c:21]([NH2:23])[c:22]23)[cH:7][cH:8][cH:9]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-fa0be587f2fb4c1c9df669d915c7e162
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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