Isopropanol → N-(3-ethynylphenyl)-7-nitroquinazolin-4-amine

반응식

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

참가 물질

반응물 3

HCID 3776Isopropanol

HCID 104682Benzenamine, 3-ethynyl-

HCID 8306804-Chloro-7-nitroquinazoline

생성물 1

HCID 16045519N-(3-ethynylphenyl)-7-nitroquinazolin-4-amine

출처 및 근거

ORD 기록: ord-41e7a12324574d92bcc920329903183f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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