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1-(3-Chlorophenyl)piperazine → 2-[4-Chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-[4-(3-chlorophenyl)-1-piperazinyl]ethanone

HRID 174708
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반응식

HRID 174708 반응식
[Cl:25][c:26]1[cH:27][cH:28][cH:29][c:30]([N:32]2[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]2)[cH:31]1.[Cl:38][c:39]1[c:40]([C:49]([F:50])([F:51])[F:52])[n:41][n:42]([CH2:45][C:46](=[O:47])[OH:48])[c:43]1[CH3:44].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[Cl:25][c:26]1[cH:27][cH:28][cH:29][c:30]([N:32]2[CH2:33][CH2:34][N:35]([C:46]([CH2:45][n:42]3[n:41][c:40]([C:49]([F:50])([F:51])[F:52])[c:39]([Cl:38])[c:43]3[CH3:44])=[O:47])[CH2:36][CH2:37]2)[cH:31]1
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참가 물질

5

반응물 4

HCID 13551-(3-Chlorophenyl)piperazineHCID 9886HexafluorophosphateHCID 1876853(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium

생성물 1

HCID 210710812-[4-Chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-[4-(3-chlorophenyl)-1-piperazinyl]ethanone

출처 및 근거

ORD 기록
ord-e357bd1d607b4d9d94500bb419dba97a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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