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Water → 4-(4-Cyanonaphthalene-2-yl)benzoic acid methyl ester

HRID 1558063
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인쇄 미리보기

반응식

HRID 1558063 반응식
[Br:14][c:15]1[cH:16][c:17]([C:25]#[N:26])[c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]2[cH:24]1.[C:27](=[O:28])([O-:29])[O-:30].[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([B:11]([OH:12])[OH:13])[cH:9][cH:10]1.[CH3:33][N:34]([CH3:35])[CH:36]=[O:37].[Cs+:31].[Cs+:32].[OH2:115].[cH:38]1[cH:39][cH:40][c:41]([P:42]([Pd:43]([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[cH:113][cH:114]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8](-[c:15]2[cH:16][c:17]([C:25]#[N:26])[c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]3[cH:24]2)[cH:9][cH:10]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 27343694-Methoxycarbonylphenylboronic acidHCID 534856703-Bromonaphthalene-1-carbonitrileHCID 178420554HCID 178420554, 화합물

생성물 1

HCID 673093094-(4-Cyanonaphthalene-2-yl)benzoic acid methyl ester

출처 및 근거

ORD 기록
ord-5b859ab9e2784aebb50b45268701f032
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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