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Sodium Ion → 5-(2-(4-Fluorophenyl)-5-(pyridin-4-yl)thiazol-4-yl)-3-methoxypyridin-2-amine

HRID 2326322
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HRID 2326322 반응식
[Br:1][c:2]1[c:3](-[c:14]2[cH:15][c:16]([O:21][CH3:22])[c:17]([NH2:20])[n:18][cH:19]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][c:10]([F:13])[cH:11][cH:12]2)[s:6]1.[C:32](=[O:33])([O-:34])[O-:35].[CH3:38][O:39][CH2:40][CH2:41][O:42][CH3:43].[Na+:36].[Na+:37].[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.[n:23]1[cH:24][cH:25][c:26]([B:29]([OH:30])[OH:31])[cH:27][cH:28]1>>[c:2]1(-[c:26]2[cH:25][cH:24][n:23][cH:28][cH:27]2)[c:3](-[c:14]2[cH:15][c:16]([O:21][CH3:22])[c:17]([NH2:20])[n:18][cH:19]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][c:10]([F:13])[cH:11][cH:12]2)[s:6]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 923Sodium Ion2회HCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 2734379(Pyridin-4-yl)boronic acidHCID 665911925-(5-Bromo-2-(4-fluorophenyl)thiazol-4-yl)-3-methoxypyridin-2-amineHCID 178420554HCID 178420554, 화합물

생성물 1

HCID 59137545
5-(2-(4-Fluorophenyl)-5-(pyridin-4-yl)thiazol-4-yl)-3-methoxypyridin-2-amine

출처 및 근거

ORD 기록
ord-cb71d6593e554b19980d052ed527dcb0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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