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Sodium Ion → 3-(5-(2-chlorophenoxy)-1-methyl-3-trifluoromethyl-1H-pyrazol-4-ylmethylthio)-5,5-dimethyl-2-isoxazoline

HRID 94422
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HRID 94422 반응식
[CH3:11][C:12]1([CH3:30])[CH2:13][C:14]([S:17][CH2:18][c:19]2[c:20]([C:26]([F:27])([F:28])[F:29])[n:21][n:22]([CH3:25])[c:23]2[F:24])=[N:15][O:16]1.[CH3:32][N:33]([CH3:34])[CH:35]=[O:36].[H-:1].[Na+:2].[OH2:31].[OH:3][c:4]1[cH:5][cH:6][cH:7][cH:8][c:9]1[Cl:10]>>[O:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][c:9]1[Cl:10])[c:23]1[c:19]([CH2:18][S:17][C:14]2=[N:15][O:16][C:12]([CH3:11])([CH3:30])[CH2:13]2)[c:20]([C:26]([F:27])([F:28])[F:29])[n:21][n:22]1[CH3:25]
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7

반응물 6

HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 72452-ChlorophenolHCID 166653HydrideHCID 178628825,5-dimethyl-3-(5-fluoro-1-methyl-3-trifluoromethyl-1H-pyrazol-4-ylmethylthio)-2-isoxazoline

생성물 1

HCID 178628543-(5-(2-chlorophenoxy)-1-methyl-3-trifluoromethyl-1H-pyrazol-4-ylmethylthio)-5,5-dimethyl-2-isoxazoline

출처 및 근거

ORD 기록
ord-85bfee9597c241399c089f9e135f66cd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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