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Sodium Ion → 5-[3-(3,4-Dihydro-5-isoquinolinyl)-1,2,4-oxadiazol-5-yl]-2-[(1-methylethyl)oxy]benzonitrile

HRID 98061
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인쇄 미리보기

반응식

HRID 98061 반응식
[Br:28][N:29]1[C:30](=[O:31])[CH2:32][CH2:33][C:34]1=[O:35].[CH3:1][CH:2]([CH3:3])[O:4][c:5]1[c:6]([C:7]#[N:8])[cH:9][c:10](-[c:13]2[n:14][c:15](-[c:18]3[c:19]4[c:24]([cH:25][cH:26][cH:27]3)[CH2:23][NH:22][CH2:21][CH2:20]4)[n:16][o:17]2)[cH:11][cH:12]1.[Cl:38][CH2:39][Cl:40].[Na+:37].[OH-:36]>>[CH3:1][CH:2]([CH3:3])[O:4][c:5]1[c:6]([C:7]#[N:8])[cH:9][c:10](-[c:13]2[n:14][c:15](-[c:18]3[c:19]4[c:24]([cH:25][cH:26][cH:27]3)[CH:23]=[N:22][CH2:21][CH2:20]4)[n:16][o:17]2)[cH:11][cH:12]1
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반응물 5

HCID 923Sodium IonHCID 961HydroxideHCID 6344DichloromethaneHCID 67184N-bromobutanimideHCID 441248992-[(1-Methylethyl)oxy]-5-[3-(1,2,3,4-tetrahydro-5-isoquinolinyl)-1,2,4-oxadiazol-5-yl]benzonitrile

생성물 1

HCID 595910795-[3-(3,4-Dihydro-5-isoquinolinyl)-1,2,4-oxadiazol-5-yl]-2-[(1-methylethyl)oxy]benzonitrile

출처 및 근거

ORD 기록
ord-bb6e27736d4245a49ab010f395f9590f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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