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Potassium Cation → 2-(3-tert-Butyl-4-chloro-5-trifluoromethyl-pyrazol-1-yl)-1-[4-(4-fluorophenyl)-piperazin-1-yl]-ethanone

HRID 118407
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HRID 118407 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([Cl:14])[c:7]([C:10]([F:11])([F:12])[F:13])[n:8][nH:9]1.[C:43]([O:44][CH2:45][CH3:46])(=[O:47])[CH3:48].[CH3:49][CH2:50][CH2:51][CH2:52][CH2:53][CH3:54].[Cl:21][CH2:22][C:23](=[O:24])[N:25]1[CH2:26][CH2:27][N:28]([c:31]2[cH:32][cH:33][c:34]([F:37])[cH:35][cH:36]2)[CH2:29][CH2:30]1.[K+:15].[K+:16].[O-:17][C:18]([O-:19])=[O:20].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([Cl:14])[c:7]([C:10]([F:11])([F:12])[F:13])[n:8]([CH2:22][C:23](=[O:24])[N:25]2[CH2:26][CH2:27][N:28]([c:31]3[cH:32][cH:33][c:34]([F:37])[cH:35][cH:36]3)[CH2:29][CH2:30]2)[n:9]1
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참가 물질

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반응물 7

HCID 813Potassium Cation2회HCID 6228DimethylformamideHCID 8058HexaneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 18485111-(Chloroacetyl)-4-(4-fluorophenyl)piperazineHCID 178441889HCID 178441889, 화합물

생성물 1

HCID 210710512-(3-tert-Butyl-4-chloro-5-trifluoromethyl-pyrazol-1-yl)-1-[4-(4-fluorophenyl)-piperazin-1-yl]-ethanone

출처 및 근거

ORD 기록
ord-3b0b9c2350964ba0ae04bdcf6e18ef5f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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