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Acetic Acid → 4-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)-2-(isoquinolin-5-ylhydrazono)-3-oxobutyronitrile

HRID 317191
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인쇄 미리보기

반응식

HRID 317191 반응식
[CH3:38][C:39](=[O:40])[OH:41].[N:12]([O-:13])=[O:14].[NH2:1][c:2]1[c:3]2[cH:4][cH:5][n:6][cH:7][c:8]2[cH:9][cH:10][cH:11]1.[Na+:15].[O:16]=[C:17]1[N:18]([CH2:27][C:28]([CH2:29][C:30]#[N:31])=[O:32])[C:19](=[O:26])[c:20]2[cH:21][cH:22][cH:23][cH:24][c:25]21.[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[OH2:42].[S:33](=[O:34])(=[O:35])([OH:36])[OH:37]>>[NH:1]([c:2]1[c:3]2[cH:4][cH:5][n:6][cH:7][c:8]2[cH:9][cH:10][cH:11]1)[N:12]=[C:29]([C:28]([CH2:27][N:18]1[C:17](=[O:16])[c:25]2[c:20]([cH:21][cH:22][cH:23][cH:24]2)[C:19]1=[O:26])=[O:32])[C:30]#[N:31]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 176Acetic AcidHCID 923Sodium IonHCID 946NitriteHCID 962WaterHCID 1118Sulfuric AcidHCID 6228DimethylformamideHCID 707665-AminoisoquinolineHCID 66844957
4-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)-3-oxobutyronitrile

생성물 1

HCID 866019704-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)-2-(isoquinolin-5-ylhydrazono)-3-oxobutyronitrile

출처 및 근거

ORD 기록
ord-fb859cdfbd9c43e4921183fa31d8ff77
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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