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Sodium Ion → 5-(4-Decoxyphenyl)-2-octan-2-yloxybenzonitrile

HRID 215244
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HRID 215244 반응식
[Br:1][c:2]1[cH:3][cH:4][c:5]([O:10][CH:11]([CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[CH3:18])[c:6]([C:7]#[N:8])[cH:9]1.[CH2:19]([CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[O:29][c:30]1[cH:31][cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]1.[Na+:116].[Na+:117].[O-:118][C:119](=[O:120])[O-:121].[cH:39]1[cH:40][cH:41][c:42]([P:43]([Pd:44]([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[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)[cH:114][cH:115]1>>[c:2]1(-[c:33]2[cH:32][cH:31][c:30]([O:29][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[cH:35][cH:34]2)[cH:3][cH:4][c:5]([O:10][CH:11]([CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[CH3:18])[c:6]([C:7]#[N:8])[cH:9]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 923Sodium Ion2회HCID 19660Carbonate IonHCID 10612601(4-(Decyloxy)phenyl)boronic acidHCID 183284055-Bromo-2-octan-2-yloxybenzonitrileHCID 178420554HCID 178420554, 화합물

생성물 1

HCID 143886545-(4-Decoxyphenyl)-2-octan-2-yloxybenzonitrile

출처 및 근거

ORD 기록
ord-949b13706704498bb02d1d18841de304
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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