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Potassium Cation → 4-Chloro-5-(5-chloro-thiophen-2-yl)-2-{2-[4-(4-fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-2H-pyrazole-3-carboxylic acid ethyl ester

HRID 148256
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HRID 148256 반응식
[C:46]([O:47][CH2:48][CH3:49])(=[O:50])[CH3:51].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[nH:7][n:8][c:9](-[c:12]2[s:13][c:14]([Cl:17])[cH:15][cH:16]2)[c:10]1[Cl:11].[CH3:52][CH2:53][CH2:54][CH2:55][CH2:56][CH3:57].[Cl:24][CH2:25][C:26](=[O:27])[N:28]1[CH2:29][CH2:30][N:31]([c:34]2[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]2)[CH2:32][CH2:33]1.[K+:18].[K+:19].[O-:20][C:21]([O-:22])=[O:23].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7]([CH2:25][C:26](=[O:27])[N:28]2[CH2:29][CH2:30][N:31]([c:34]3[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]3)[CH2:32][CH2:33]2)[n:8][c:9](-[c:12]2[s:13][c:14]([Cl:17])[cH:15][cH:16]2)[c:10]1[Cl:11]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 813Potassium Cation2회HCID 6228DimethylformamideHCID 8058HexaneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 18485111-(Chloroacetyl)-4-(4-fluorophenyl)piperazineHCID 178470415HCID 178470415, 화합물

생성물 1

HCID 587780164-Chloro-5-(5-chloro-thiophen-2-yl)-2-{2-[4-(4-fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-2H-pyrazole-3-carboxylic acid ethyl ester

출처 및 근거

ORD 기록
ord-59ffde1ac7634f58add44437ba1ee53d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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