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Sodium Ion → 2'-Fluoro-4'-methylbiphenyl-2-carboxylic acid t-butyl ester

HRID 1141280
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HRID 1141280 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([c:7]1[c:8]([Br:13])[cH:9][cH:10][cH:11][cH:12]1)=[O:14].[CH3:114][CH2:115][O:116][C:117]([CH3:118])=[O:119].[CH:26]([OH:27])([CH3:28])[CH3:29].[F:15][c:16]1[c:17]([B:23]([OH:24])[OH:25])[cH:18][cH:19][c:20]([CH3:22])[cH:21]1.[Na+:30].[Na+:31].[O-:32][C:33](=[O:34])[O-:35].[OH2:113].[cH:36]1[cH:37][cH:38][c:39]([P:40]([Pd:41]([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[cH:111][cH:112]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([c:7]1[c:8](-[c:17]2[c:16]([F:15])[cH:21][c:20]([CH3:22])[cH:19][cH:18]2)[cH:9][cH:10][cH:11][cH:12]1)=[O:14]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 923Sodium Ion2회HCID 962WaterHCID 3776IsopropanolHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 2783132(2-Fluoro-4-methylphenyl)boronic acidHCID 3804415tert-Butyl 2-bromobenzoate
HCID 178420554
HCID 178420554, 화합물

생성물 1

HCID 592838992'-Fluoro-4'-methylbiphenyl-2-carboxylic acid t-butyl ester

출처 및 근거

ORD 기록
ord-440181bf33294ade8f8004d5eb44d8ee
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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