1-(4-Nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride → N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-1-phenylpropyl]-1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

HRID 1235727

반응식

HRID 1235727 반응식
[N+:29](=[O:30])([O-:31])[c:32]1[cH:33][cH:34][c:35](-[n:38]2[n:39][cH:40][c:41]([C:47](=[O:48])[Cl:49])[c:42]2[C:43]([F:44])([F:45])[F:46])[cH:36][cH:37]1.[NH2:1][CH:2]([CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][CH:8]([c:11]2[cH:12][c:13]([NH:17][C:18]([CH:19]([CH3:20])[CH3:21])=[O:22])[cH:14][cH:15][cH:16]2)[CH2:9][CH2:10]1)[c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[NH:1]([CH:2]([CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][CH:8]([c:11]2[cH:12][c:13]([NH:17][C:18]([CH:19]([CH3:20])[CH3:21])=[O:22])[cH:14][cH:15][cH:16]2)[CH2:9][CH2:10]1)[c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[C:47]([c:41]1[cH:40][n:39][n:38](-[c:35]2[cH:34][cH:33][c:32]([N+:29](=[O:30])[O-:31])[cH:37][cH:36]2)[c:42]1[C:43]([F:44])([F:45])[F:46])=[O:48]

참가 물질

3

반응물 2

HCID 27757461-(4-Nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chlorideHCID 22048665N-[3-[1-(3-amino-3-phenylpropyl)piperidin-4-yl]phenyl]-2-methylpropanamide

생성물 1

HCID 22048898N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-1-phenylpropyl]-1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

출처 및 근거

ORD 기록
ord-bd5cd40dbca74df79bba126ca981e11a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

연결된 노트

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