N-(azepan-4-yl)-2,2,2-trifluoroacetamide → N-[1-[2-(cyclopropylmethyl)-4-nitropyrazol-3-yl]azepan-4-yl]-2,2,2-trifluoroacetamide

반응식

[Cl:1][c:2]1[c:3]([N+:11](=[O:12])[O-:13])[cH:4][n:5][n:6]1[CH2:7][CH:8]1[CH2:9][CH2:10]1.[F:14][C:15]([C:16](=[O:17])[NH:18][CH:19]1[CH2:20][CH2:21][NH:22][CH2:23][CH2:24][CH2:25]1)([F:26])[F:27]>>[c:2]1([N:22]2[CH2:21][CH2:20][CH:19]([NH:18][C:16]([C:15]([F:14])([F:26])[F:27])=[O:17])[CH2:25][CH2:24][CH2:23]2)[c:3]([N+:11](=[O:12])[O-:13])[cH:4][n:5][n:6]1[CH2:7][CH:8]1[CH2:9][CH2:10]1

참가 물질

반응물 2

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

HCID 584648135-Chloro-1-(cyclopropylmethyl)-4-nitro-1h-pyrazole

생성물 1

HCID 87400651N-[1-[2-(cyclopropylmethyl)-4-nitropyrazol-3-yl]azepan-4-yl]-2,2,2-trifluoroacetamide

출처 및 근거

ORD 기록: ord-c96e2ad4e94c4f34884b0f95c06d8eea
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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