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Ethanol → 2-(4-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl)acetonitrile

HRID 158257
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HRID 158257 반응식
[C:1](#[N:2])[CH2:3][c:4]1[cH:5][cH:6][c:7]([B:10]([OH:11])[OH:12])[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](#[N:2])[CH2:3][c:4]1[cH:5][cH:6][c:7](-[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:8][cH:9]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 702EthanolHCID 923Sodium Ion2회HCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 27733424-(Cyanomethyl)benzeneboronic acidHCID 249053373-iodo-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amineHCID 178420554
HCID 178420554, 화합물

생성물 1

HCID 249051662-(4-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl)acetonitrile

출처 및 근거

ORD 기록
ord-82d3a061fa5949288ebc8a1d8a3c14bf
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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