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Chloride → 2-(4-Methoxyphenyl)benzonitrile

HRID 101098
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HRID 101098 반응식
[Br:15][c:16]1[c:17]([C:18]#[N:19])[cH:20][cH:21][cH:22][cH:23]1.[Br:1][c:2]1[cH:3][cH:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1.[CH3:10][CH2:11][CH2:12][CH2:13][Li:14].[CH3:29][CH2:30][CH2:31][CH2:32][CH2:33][CH3:34].[Cl-:35].[Cl-:37].[O:24]1[CH2:25][CH2:26][CH2:27][CH2:28]1.[Zn+2:36].[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>>[c:2]1(-[c:16]2[c:17]([C:18]#[N:19])[cH:20][cH:21][cH:22][cH:23]2)[cH:3][cH:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 312Chloride2회HCID 77304-BromoanisoleHCID 8028TetrahydrofuranHCID 8058HexaneHCID 162722-BromobenzonitrileHCID 32051Zinc(2+)HCID 178418339Butyllithium
HCID 178420554
HCID 178420554, 화합물

생성물 1

HCID 13933732-(4-Methoxyphenyl)benzonitrile

출처 및 근거

ORD 기록
ord-922fd4018faf4e60b32624cbb5940300
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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