Acetonitrile → Tert-butyl 3-{[(3-amino-2-chloroquinolin-4-yl)amino]methyl}benzylcarbamate

반응식

[CH3:32][C:33]#[N:34].[Cl:1][c:2]1[n:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[c:10]([NH:15][CH2:16][c:17]2[cH:18][c:19]([CH2:20][NH:21][C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[cH:29][cH:30][cH:31]2)[c:11]1[N+:12]([O-:13])=[O:14]>>[Cl:1][c:2]1[n:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[c:10]([NH:15][CH2:16][c:17]2[cH:18][c:19]([CH2:20][NH:21][C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[cH:29][cH:30][cH:31]2)[c:11]1[NH2:12]

참가 물질

반응물 2

HCID 6342Acetonitrile

HCID 86633722Tert-butyl 3-{[(2-chloro-3-nitroquinolin-4-yl)amino]methyl}benzylcarbamate

생성물 1

HCID 86633723Tert-butyl 3-{[(3-amino-2-chloroquinolin-4-yl)amino]methyl}benzylcarbamate

출처 및 근거

ORD 기록: ord-d5a73a3a654f49b3b39ce4ae97e960cd
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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