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Benzene → 5-Methoxy-2-(4-methoxyphenyl)-7-phenyl-1,3-benzoxazole

HRID 211757
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HRID 211757 반응식
[BH:21]([OH:22])[OH:23].[Br:1][c:2]1[cH:3][c:4]([O:19][CH3:20])[cH:5][c:6]2[n:7][c:8](-[c:11]3[cH:12][cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]3)[o:9][c:10]12.[CH3:36][CH2:37][OH:38].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[Na+:30].[Na+:31].[O-:32][C:33](=[O:34])[O-:35].[OH2:46].[cH:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1.[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>>[c:2]1(-[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:3][c:4]([O:19][CH3:20])[cH:5][c:6]2[n:7][c:8](-[c:11]3[cH:12][cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]3)[o:9][c:10]12
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 241BenzeneHCID 702EthanolHCID 923Sodium Ion2회HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 61668Boronic AcidHCID 121489697-Bromo-5-methoxy-2-(4-methoxyphenyl)-1,3-benzoxazole
HCID 178420554HCID 178420554, 화합물

생성물 1

HCID 219073675-Methoxy-2-(4-methoxyphenyl)-7-phenyl-1,3-benzoxazole

출처 및 근거

ORD 기록
ord-b855e682ae9b428b90e4af8be4f11352
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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