Acetonitrile → 4-(6,7-Dimethoxy-quinazolin-4-yl)-piperidine-1-carboxylic acid (4-isopropyl-phenyl)-amide

반응식

[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([CH:15]3[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]3)[n:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14].[CH3:43][C:44]#[N:45].[N+:21]([c:22]1[cH:23][cH:24][c:25]([O:30][C:31](=[O:26])[NH:32][c:33]2[cH:34][cH:35][c:36]([CH:39]([CH3:40])[CH3:41])[cH:37][cH:38]2)[cH:27][cH:28]1)([O-:29])=[O:42]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([CH:15]3[CH2:16][CH2:17][N:18]([C:31](=[O:30])[NH:32][c:33]4[cH:34][cH:35][c:36]([CH:39]([CH3:40])[CH3:41])[cH:37][cH:38]4)[CH2:19][CH2:20]3)[n:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 46186565(4-Isopropylphenyl)-carbamic acid 4-nitrophenyl ester

HCID 595517346,7-Dimethoxy-4-(piperidin-4-yl)quinazoline

생성물 1

HCID 587708034-(6,7-Dimethoxy-quinazolin-4-yl)-piperidine-1-carboxylic acid (4-isopropyl-phenyl)-amide

출처 및 근거

ORD 기록: ord-35d49e65dead40a385139dc89be86eb2
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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