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Sodium Ion → 4-Amino-5-methyl-biphenyl-3-carboxylic acid methyl ester

HRID 1211454
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HRID 1211454 반응식
[C:23](=[O:24])([O-:25])[O-:26].[CH2:29]([CH2:30][O:31][CH3:32])[O:33][CH3:34].[CH3:1][O:2][C:3]([c:4]1[c:5]([NH2:12])[c:6]([CH3:11])[cH:7][c:8]([Br:10])[cH:9]1)=[O:13].[Na+:27].[Na+:28].[c:14]1([B:20]([OH:21])[OH:22])[cH:15][cH:16][cH:17][cH:18][cH:19]1.[cH:35]1[cH:36][cH:37][c:38]([P:39]([Pd:40]([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([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)[P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([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)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[cH:110][cH:111]1>>[CH3:1][O:2][C:3]([c:4]1[c:5]([NH2:12])[c:6]([CH3:11])[cH:7][c:8](-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:9]1)=[O:13]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 923Sodium Ion2회HCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 66827Phenylboronic AcidHCID 2763413Methyl 2-amino-5-bromo-3-methylbenzoateHCID 178420554HCID 178420554, 화합물

생성물 1

HCID 54207530
4-Amino-5-methyl-biphenyl-3-carboxylic acid methyl ester

출처 및 근거

ORD 기록
ord-c5c72edeb2a349599d6b50b21b015c89
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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