Acetonitrile → 8-(2-Chloro-5-methoxy-3,6-dimethyl-phenyl)-quinoxaline-5-carboxylic acid

반응식

[CH3:29][C:30]#[N:31].[CH3:6][O:7][c:8]1[c:9]([CH3:28])[c:10](-[c:15]2[cH:16][cH:17][c:18]([C:25](=[O:26])[OH:27])[c:19]3[n:20][cH:21][cH:22][n:23][c:24]23)[cH:11][c:12]([CH3:14])[cH:13]1.[S:1]([Cl:2])(=[O:3])([Cl:4])=[O:5]>>[Cl:4][c:11]1[c:10](-[c:15]2[cH:16][cH:17][c:18]([C:25](=[O:26])[OH:27])[c:19]3[n:20][cH:21][cH:22][n:23][c:24]23)[c:9]([CH3:28])[c:8]([O:7][CH3:6])[cH:13][c:12]1[CH3:14]

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 24648Sulfuryl chloride

HCID 669145898-(3-Methoxy-2,5-dimethyl-phenyl)quinoxaline-5-carboxylic acid

생성물 1

HCID 866411438-(2-Chloro-5-methoxy-3,6-dimethyl-phenyl)-quinoxaline-5-carboxylic acid

출처 및 근거

ORD 기록: ord-df4a603639e44839837e78ce822bb318
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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