3-Trifluoromethylcinnamic acid → N-[1-(4-benzylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

HRID 956028

반응식

HRID 956028 반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][N:11]([C:14]([CH:15]([CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[NH:23][CH2:24][c:25]2[cH:26][cH:27][c:28]([CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[cH:29][cH:30]2)=[O:36])[CH2:12][CH2:13]1.[F:37][C:38]([c:39]1[cH:40][c:41]([CH:42]=[CH:43][C:44](=[O:45])[OH:46])[cH:47][cH:48][cH:49]1)([F:50])[F:51]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][N:11]([C:14]([CH:15]([CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[N:23]([CH2:24][c:25]2[cH:26][cH:27][c:28]([CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[cH:29][cH:30]2)[C:44]([CH:43]=[CH:42][c:41]2[cH:40][c:39]([C:38]([F:37])([F:50])[F:51])[cH:49][cH:48][cH:47]2)=[O:45])=[O:36])[CH2:12][CH2:13]1

참가 물질

3

반응물 2

HCID 855273-Trifluoromethylcinnamic acidHCID 670050511-(4-Benzylpiperazin-1-yl)-2-[(4-pentylphenyl)methylamino]-3-phenylpropan-1-one

생성물 1

HCID 90692588N-[1-(4-benzylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

출처 및 근거

ORD 기록
ord-b8d6c99a771e45dba56c68be83247d87
출처 데이터셋
Validation data from https://doi.org/10.1039/C8SC04228D

연결된 노트

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