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Potassium Cation → 1-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-1H-pyrazole-4-carboxylic acid ethyl ester

HRID 134499
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반응식

HRID 134499 반응식
[C:39]([O:40][CH2:41][CH3:42])(=[O:43])[CH3:44].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][n:8][nH:9][cH:10]1.[CH3:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50].[Cl:17][CH2:18][C:19](=[O:20])[N:21]1[CH2:22][CH2:23][N:24]([c:27]2[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]2)[CH2:25][CH2:26]1.[K+:11].[K+:12].[O-:13][C:14]([O-:15])=[O:16].[O:34]=[CH:35][N:36]([CH3:37])[CH3:38]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][n:8][n:9]([CH2:18][C:19](=[O:20])[N:21]2[CH2:22][CH2:23][N:24]([c:27]3[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]3)[CH2:25][CH2:26]2)[cH:10]1
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참가 물질

8

반응물 7

HCID 813Potassium Cation2회HCID 6228DimethylformamideHCID 8058HexaneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 142179ethyl 1H-pyrazole-4-carboxylateHCID 18485111-(Chloroacetyl)-4-(4-fluorophenyl)piperazine

생성물 1

HCID 587780261-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-1H-pyrazole-4-carboxylic acid ethyl ester

출처 및 근거

ORD 기록
ord-c8e30c459a054f39a2d9dccc95361d5c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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