Ethanol → 4-[(3-Methylsulfanylphenyl)amino]-6-nitro-3-quinolinecarbonitrile

반응식

[CH3:17][S:18][c:19]1[cH:20][c:21]([NH2:22])[cH:23][cH:24][cH:25]1.[CH3:26][CH2:27][OH:28].[Cl:1][c:2]1[c:3]([C:15]#[N:16])[cH:4][n:5][c:6]2[cH:7][cH:8][c:9]([N+:12](=[O:13])[O-:14])[cH:10][c:11]12>>[c:2]1([NH:22][c:21]2[cH:20][c:19]([S:18][CH3:17])[cH:25][cH:24][cH:23]2)[c:3]([C:15]#[N:16])[cH:4][n:5][c:6]2[cH:7][cH:8][c:9]([N+:12](=[O:13])[O-:14])[cH:10][c:11]12

참가 물질

반응물 3

HCID 702Ethanol

HCID 15693Benzenamine, 3-(methylthio)-

HCID 110856904-Chloro-6-nitroquinoline-3-carbonitrile

생성물 1

HCID 224666284-[(3-Methylsulfanylphenyl)amino]-6-nitro-3-quinolinecarbonitrile

출처 및 근거

ORD 기록: ord-07f2059dc2874df7a67e7e2d1e7cc6fb
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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