Acetonitrile → N-pyrimidin-5-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][n:23][cH:24][c:25]([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: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:25]3[cH:24][n:23][cH:22][n:21][cH:26]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 166406961-(4-(Trifluoromethyl)phenyl)-1,2,3,4-tetrahydroisoquinoline

HCID 595363234-Nitrophenyl pyrimidin-5-ylcarbamate

생성물 1

HCID 72319332N-pyrimidin-5-yl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

출처 및 근거

ORD 기록: ord-4808db5f177649839cf6773e0f9b5bf3
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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