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Cyanide → Methyl 3-bromo-5-cyanobenzoate

HRID 1206469
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인쇄 미리보기

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HRID 1206469 반응식
[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][c:10]([I:12])[cH:11]1.[C-:24]#[N:25].[C-:27]#[N:28].[CH3:13][N:14]([CH3:15])[CH:16]=[O:17].[CH3:18][CH2:19][O:20][C:21](=[O:22])[CH3:23].[Zn+2:26].[cH:29]1[cH:30][cH:31][c:32]([P:33]([Pd:34]([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)([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)([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([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)[P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([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)[cH:104][cH:105]1>>[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][c:10]([C:13]#[N:14])[cH:11]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 5975Cyanide2회HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 32051Zinc(2+)HCID 21942573Methyl 3-bromo-5-iodobenzoateHCID 178420554HCID 178420554, 화합물

생성물 1

HCID 21942615
Methyl 3-bromo-5-cyanobenzoate

출처 및 근거

ORD 기록
ord-7789bc62a86e45a39226c2dde1f63f16
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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