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Benzene → 2-Fluoro-6-octyloxy3-(4-octyloxyphenyl)pyridine

HRID 104466
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인쇄 미리보기

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HRID 104466 반응식
[Br:20][c:21]1[cH:22][cH:23][c:24]([O:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[cH:25][cH:26]1.[CH3:128][CH2:129][O:130][CH2:131][CH3:132].[CH3:42][CH2:43][OH:44].[F:1][c:2]1[n:3][c:4]([O:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])[cH:5][cH:6][c:7]1[B:8]([OH:9])[OH:10].[Na+:36].[Na+:37].[O-:38][C:39](=[O:40])[O-:41].[OH2:133].[cH:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127]1>>[F:1][c:2]1[n:3][c:4]([O:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])[cH:5][cH:6][c:7]1-[c:21]1[cH:22][cH:23][c:24]([O:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[cH:25][cH:26]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 241BenzeneHCID 702EthanolHCID 923Sodium Ion2회HCID 962WaterHCID 3283Diethyl EtherHCID 19660Carbonate IonHCID 145298p-Bromophenyl octyl etherHCID 19046940
2-Fluoro-6-octyloxypyridine-3-boronic acid
HCID 178420554HCID 178420554, 화합물

생성물 1

HCID 190469692-Fluoro-6-octyloxy3-(4-octyloxyphenyl)pyridine

출처 및 근거

ORD 기록
ord-4be4a71aaa834268bd16e4d1c9f1d107
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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