Acetonitrile → 1,4-Dichloro-7-(3-cyanophenyl)isoquinoline

반응식

[CH3:26][C:27]#[N:28].[Cl:6][c:7]1[cH:8][nH:9][c:10](=[O:25])[c:11]2[cH:12][c:13](-[c:17]3[cH:18][c:19]([C:23]#[N:24])[cH:20][cH:21][cH:22]3)[cH:14][cH:15][c:16]12.[P:1]([Cl:2])([Cl:3])([Cl:4])=[O:5]>>[Cl:3][c:10]1[n:9][cH:8][c:7]([Cl:6])[c:16]2[c:11]1[cH:12][c:13](-[c:17]1[cH:18][c:19]([C:23]#[N:24])[cH:20][cH:21][cH:22]1)[cH:14][cH:15]2

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 24813Phosphorus oxychloride

HCID 534397463-(4-Chloro-1-oxo-1,2-dihydroisoquinolin-7-YL)benzonitrile

생성물 1

HCID 187712921,4-Dichloro-7-(3-cyanophenyl)isoquinoline

출처 및 근거

ORD 기록: ord-5be0cbb672154175b77323a39bacd68e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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