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Potassium Cation → 4-(1-methyl-6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-phenylamine

HRID 2157427
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HRID 2157427 반응식
[Br:1][c:2]1[n:3][n:4]([CH3:13])[c:5]2[n:6][c:7]([S:11][CH3:12])[n:8][cH:9][c:10]12.[C:14](=[O:15])([O-:16])[O-:17].[CH3:20][C:21]1([CH3:22])[C:23]([CH3:24])([CH3:25])[O:26][B:27]([c:28]2[cH:29][cH:30][c:31]([NH2:32])[cH:33][cH:34]2)[O:35]1.[K+:18].[K+:19].[O:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1.[OH2:42].[cH:43]1[cH:44][cH:45][c:46]([P:47]([Pd:48]([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([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)[P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([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)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119]1>>[c:2]1(-[c:28]2[cH:29][cH:30][c:31]([NH2:32])[cH:33][cH:34]2)[n:3][n:4]([CH3:13])[c:5]2[n:6][c:7]([S:11][CH3:12])[n:8][cH:9][c:10]12
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 813Potassium Cation2회HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 27346204-(Tetramethyl-1,3,2-dioxaborolan-2-yl)anilineHCID 210980543-bromo-1-methyl-6-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine
HCID 178420554
HCID 178420554, 화합물

생성물 1

HCID 210980644-(1-methyl-6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-phenylamine

출처 및 근거

ORD 기록
ord-97d1bb2849ff4e21b86f7e2fe4a6d881
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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