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Sodium Ion → 3-(Pyridin-2-yl)-5-[5-(5-pyrimidyl)-pyrid-3-yl]-1,2,4-oxadiazole

HRID 690756
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HRID 690756 반응식
[CH3:111][O:112][CH2:113][CH2:114][O:115][CH3:116].[Na+:28].[Na+:29].[O-:30][C:31](=[O:32])[O-:33].[cH:34]1[cH:35][cH:36][c:37]([P:38]([Pd:39]([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[cH:109][cH:110]1.[n:19]1[cH:20][n:21][cH:22][c:23]([B:25]([OH:26])[OH:27])[cH:24]1.[n:1]1[c:2](-[c:7]2[n:8][o:9][c:10](-[c:12]3[cH:13][n:14][cH:15][c:16]([Br:18])[cH:17]3)[n:11]2)[cH:3][cH:4][cH:5][cH:6]1>>[n:1]1[c:2](-[c:7]2[n:8][o:9][c:10](-[c:12]3[cH:13][n:14][cH:15][c:16](-[c:23]4[cH:22][n:21][cH:20][n:19][cH:24]4)[cH:17]3)[n:11]2)[cH:3][cH:4][cH:5][cH:6]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 923Sodium Ion2회HCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 2795193(Pyrimidin-5-yl)boronic acidHCID 114266383-(Pyridin-2-yl)-5-(5-bromopyrid-3-yl)-1,2,4-oxadiazoleHCID 178420554HCID 178420554, 화합물

생성물 1

HCID 9966153
3-(Pyridin-2-yl)-5-[5-(5-pyrimidyl)-pyrid-3-yl]-1,2,4-oxadiazole

출처 및 근거

ORD 기록
ord-92ec2f149d2d4df99c48715011a55919
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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