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Sodium Ion → HCID 9966748, 화합물

HRID 2313447
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HRID 2313447 반응식
[CH3:124][CH2:125][O:126][C:127](=[O:128])[CH3:129].[CH3:29][O:30][CH2:31][CH2:32][O:33][CH3:34].[CH3:41][CH2:42][CH2:43][CH2:44][CH2:45][CH3:46].[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-:40].[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([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)([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([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)[P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[cH:122][cH:123]1.[n:1]1[c:2](-[c:7]2[n:8][o:9][c:10](-[c:12]3[cH:13][c:14]([Br:19])[cH:15][c:16]([F:18])[cH:17]3)[n:11]2)[cH:3][cH:4][cH:5][cH:6]1.[n:20]1[cH:21][cH:22][c:23]([B:26]([OH:27])[OH:28])[cH:24][cH:25]1>>[n:1]1[c:2](-[c:7]2[n:8][o:9][c:10](-[c:12]3[cH:13][c:14](-[c:23]4[cH:22][cH:21][n:20][cH:25][cH:24]4)[cH:15][c:16]([F:18])[cH:17]3)[n:11]2)[cH:3][cH:4][cH:5][cH:6]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 923Sodium Ion2회HCID 8058HexaneHCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 2734379(Pyridin-4-yl)boronic acidHCID 9836725HCID 9836725, 화합물
HCID 178420554
HCID 178420554, 화합물

생성물 1

HCID 9966748HCID 9966748, 화합물

출처 및 근거

ORD 기록
ord-c7ceb83613cc4da9902e92fa65d5bd12
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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