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Sodium Ion → Ethyl 6-(4-hydroxyphenyl)-1-naphthalenecarboxylate

HRID 2142550
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HRID 2142550 반응식
[C:24](=[O:25])([O-:26])[O-:27].[CH3:40][O:41][CH2:42][CH2:43][O:44][CH3:45].[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[cH:8][c:9]2[cH:10][cH:11][cH:12][c:13]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[c:14]2[cH:15][cH:16]1)(=[O:22])=[O:23].[Na+:28].[Na+:29].[OH2:46].[OH:30][c:31]1[cH:32][cH:33][c:34]([B:37]([OH:38])[OH:39])[cH:35][cH:36]1.[Pd:53].[c:111]1([P:112]([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[cH:125][cH:126][cH:127][cH:128][cH:129]1.[c:54]1([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[cH:68][cH:69][cH:70][cH:71][cH:72]1.[c:73]1([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[cH:87][cH:88][cH:89][cH:90][cH:91]1.[c:92]1([P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[cH:106][cH:107][cH:108][cH:109][cH:110]1>>[c:7]1(-[c:34]2[cH:33][cH:32][c:31]([OH:30])[cH:36][cH:35]2)[cH:8][c:9]2[cH:10][cH:11][cH:12][c:13]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[c:14]2[cH:15][cH:16]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 923Sodium Ion2회HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 11776Triphenylphosphine4회HCID 19660Carbonate IonHCID 23938Palladium
HCID 2734360
4-Hydroxyphenylboronic acid
HCID 59264849Ethyl 6-{[(trifluoromethyl)sulfonyl]oxy}-1-naphthalenecarboxylate

생성물 1

HCID 59264856Ethyl 6-(4-hydroxyphenyl)-1-naphthalenecarboxylate

출처 및 근거

ORD 기록
ord-03730d6114c04f47b7d428c164eb4f26
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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