N-(azepan-4-yl)-2,2,2-trifluoroacetamide → 2,2,2-trifluoro-N-[1-(4-nitro-1-propan-2-ylpyrazol-5-yl)azepan-4-yl]acetamide

반응식

[Cl:1][c:2]1[c:3]([N+:10](=[O:11])[O-:12])[cH:4][n:5][n:6]1[CH:7]([CH3:8])[CH3:9].[NH:13]1[CH2:14][CH2:15][CH:16]([NH:20][C:21]([C:22]([F:23])([F:24])[F:25])=[O:26])[CH2:17][CH2:18][CH2:19]1>>[c:2]1([N:13]2[CH2:14][CH2:15][CH:16]([NH:20][C:21]([C:22]([F:23])([F:24])[F:25])=[O:26])[CH2:17][CH2:18][CH2:19]2)[c:3]([N+:10](=[O:11])[O-:12])[cH:4][n:5][n:6]1[CH:7]([CH3:8])[CH3:9]

참가 물질

반응물 2

HCID 21059993N-(azepan-4-yl)-2,2,2-trifluoroacetamide

HCID 584648025-chloro-1-isopropyl-4-nitro-1H-pyrazole

생성물 1

HCID 874008472,2,2-trifluoro-N-[1-(4-nitro-1-propan-2-ylpyrazol-5-yl)azepan-4-yl]acetamide

출처 및 근거

ORD 기록: ord-72014a2a837841af99b9079f3cba6283
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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