Tetrahydrofuran → N-(6-{4-[3-(Isobutyrylamino)phenyl]-1-piperidinyl}hexyl)-1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide

HRID 100608

반응식

HRID 100608 반응식
[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[N+:26](=[O:27])([O-:28])[c:29]1[cH:30][cH:31][c:32](-[n:35]2[n:36][cH:37][c:38]([C:44](=[O:45])[Cl:46])[c:39]2[C:40]([F:41])([F:42])[F:43])[cH:33][cH:34]1.[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[cH:15][c:16]([NH:20][C:21]([CH:22]([CH3:23])[CH3:24])=[O:25])[cH:17][cH:18][cH:19]2)[CH2:12][CH2:13]1>>[NH:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[cH:15][c:16]([NH:20][C:21]([CH:22]([CH3:23])[CH3:24])=[O:25])[cH:17][cH:18][cH:19]2)[CH2:12][CH2:13]1)[C:44]([c:38]1[cH:37][n:36][n:35](-[c:32]2[cH:31][cH:30][c:29]([N+:26](=[O:27])[O-:28])[cH:34][cH:33]2)[c:39]1[C:40]([F:41])([F:42])[F:43])=[O:45]

참가 물질

4

반응물 3

HCID 8028TetrahydrofuranHCID 27757461-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chlorideHCID 16755868N-{3-[1-(6-Aminohexyl)4-piperidinyl]phenyl}-2-methylpropanamide

생성물 1

HCID 22049026N-(6-{4-[3-(Isobutyrylamino)phenyl]-1-piperidinyl}hexyl)-1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide

출처 및 근거

ORD 기록
ord-0f035b1e9fe842459124ff88432f5c71
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

불러오는 중…