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Sodium Ion → 2-(2,2,2-Trifluoro-ethyl)-5-(4-trifluoromethyl-phenyl)-2H-pyrazole-3-carboxylic acid ethyl ester

HRID 147515
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HRID 147515 반응식
[CH2:3]([CH3:4])[O:5][C:6](=[O:7])[c:8]1[n:9][nH:10][c:11](-[c:13]2[cH:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]2)[cH:12]1.[Cl:36][CH2:37][Cl:38].[F:23][C:24]([CH2:25][O:26][S:27]([C:28]([F:29])([F:30])[F:31])(=[O:32])=[O:33])([F:34])[F:35].[H-:1].[Na+:2].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43]>>[CH2:3]([CH3:4])[O:5][C:6](=[O:7])[c:8]1[n:9]([CH2:25][C:24]([F:23])([F:34])[F:35])[n:10][c:11](-[c:13]2[cH:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]2)[cH:12]1
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HCID 923Sodium IonHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 803662,2,2-Trifluoroethyl trifluoromethanesulfonateHCID 166653HydrideHCID 178468625HCID 178468625, 화합물

생성물 1

출처 및 근거

ORD 기록
ord-f06ff1de1f324af6857beceae4e55e68
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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HCID 86600625
2-(2,2,2-Trifluoro-ethyl)-5-(4-trifluoromethyl-phenyl)-2H-pyrazole-3-carboxylic acid ethyl ester