Acetonitrile → N-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

반응식

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

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 10355188Carbamic acid, 4-pyridinyl-, 4-nitrophenyl ester

HCID 166406961-(4-(Trifluoromethyl)phenyl)-1,2,3,4-tetrahydroisoquinoline

생성물 1

HCID 72319355N-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

출처 및 근거

ORD 기록: ord-f52f6339be634e179b7e1e4188417d47
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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