Isopropanol → 6-bromo-7-methyl-8-nitro-N-(3-(trifluoromethyl)phenyl)quinazolin-4-amine

반응식

[Br:12][c:13]1[cH:14][c:15]2[c:16]([Cl:27])[n:17][cH:18][n:19][c:20]2[c:21]([N+:24](=[O:25])[O-:26])[c:22]1[CH3:23].[CH:28]([OH:29])([CH3:30])[CH3:31].[F:1][C:2]([c:3]1[cH:4][c:5]([NH2:6])[cH:7][cH:8][cH:9]1)([F:10])[F:11]>>[F:1][C:2]([c:3]1[cH:4][c:5]([NH:6][c:16]2[c:15]3[cH:14][c:13]([Br:12])[c:22]([CH3:23])[c:21]([N+:24](=[O:25])[O-:26])[c:20]3[n:19][cH:18][n:17]2)[cH:7][cH:8][cH:9]1)([F:10])[F:11]

참가 물질

반응물 3

HCID 3776Isopropanol

HCID 73753-(Trifluoromethyl)aniline

HCID 589422476-Bromo-4-chloro-7-methyl-8-nitroquinazoline

생성물 1

HCID 673386296-bromo-7-methyl-8-nitro-N-(3-(trifluoromethyl)phenyl)quinazolin-4-amine

출처 및 근거

ORD 기록: ord-56ff5d3ac581432384dd59ee032a3bf4
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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