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Sodium Ion → 4-(benzyloxy)-3-methyl-6-(pyridin-3-yl)-2-{[3-(tetrahydro-2H-pyran-4-ylmethoxy)phenoxy]methyl}quinoline

HRID 1221338
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HRID 1221338 반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH3:36])[c:11]([CH2:20][O:21][c:22]2[cH:23][c:24]([O:28][CH2:29][CH:30]3[CH2:31][CH2:32][O:33][CH2:34][CH2:35]3)[cH:25][cH:26][cH:27]2)[n:12][c:13]2[cH:14][cH:15][c:16]([Br:19])[cH:17][c:18]12.[Na+:47].[Na+:48].[O-:49][C:50](=[O:51])[O-:52].[O:54]1[CH2:55][CH2:56][O:57][CH2:58][CH2:59]1.[OH2:53].[cH:60]1[cH:61][cH:62][c:63]([P:64]([Pd:65]([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([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)([P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([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)[P:104]([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)([c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[c:129]2[cH:130][cH:131][cH:132][cH:133][cH:134]2)[cH:135][cH:136]1.[n:37]1[cH:38][c:39]([O:43][B:44]([OH:45])[OH:46])[cH:40][cH:41][cH:42]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH3:36])[c:11]([CH2:20][O:21][c:22]2[cH:23][c:24]([O:28][CH2:29][CH:30]3[CH2:31][CH2:32][O:33][CH2:34][CH2:35]3)[cH:25][cH:26][cH:27]2)[n:12][c:13]2[cH:14][cH:15][c:16](-[c:39]3[cH:38][n:37][cH:42][cH:41][cH:40]3)[cH:17][c:18]12
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 923Sodium Ion2회HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 184153773-Pyridylboric acidHCID 595270124-(benzyloxy)-6-bromo-3-methyl-2-{[3-(tetrahydro-2H-pyran-4-ylmethoxy)phenoxy]methyl}quinoline
HCID 178420554
HCID 178420554, 화합물

생성물 1

HCID 595273384-(benzyloxy)-3-methyl-6-(pyridin-3-yl)-2-{[3-(tetrahydro-2H-pyran-4-ylmethoxy)phenoxy]methyl}quinoline

출처 및 근거

ORD 기록
ord-25f76e41bca44a2e8924d212c392e6ec
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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