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Sodium Ion → 2-{[5-{[(4-tert-butylphenyl)sulfonyl]amino}-1-methyl-4-(4-methylphenyl)-1H-pyrazol-3-yl]oxy}ethyl Acetate

HRID 1200763
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HRID 1200763 반응식
[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH2:6][O:7][c:8]1[n:9][n:10]([CH3:21])[c:11]([NH2:20])[c:12]1-[c:13]1[cH:14][cH:15][c:16]([CH3:19])[cH:17][cH:18]1.[C:24]([CH3:25])([CH3:26])([CH3:27])[c:28]1[cH:29][cH:30][c:31]([S:34](=[O:35])(=[O:36])[Cl:37])[cH:32][cH:33]1.[C:38]([N:39]([CH3:40])[CH3:41])(=[O:42])[CH3:43].[H-:22].[Na+:23].[OH2:44]>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH2:6][O:7][c:8]1[n:9][n:10]([CH3:21])[c:11]([NH:20][S:34]([c:31]2[cH:30][cH:29][c:28]([C:24]([CH3:25])([CH3:26])[CH3:27])[cH:33][cH:32]2)(=[O:35])=[O:36])[c:12]1-[c:13]1[cH:14][cH:15][c:16]([CH3:19])[cH:17][cH:18]1
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HCID 923Sodium IonHCID 962WaterHCID 31374DimethylacetamideHCID 1398824-t-Butylbenzenesulfonyl chlorideHCID 166653HydrideHCID 222820022-{[5-amino-1-methyl-4-(4-methylphenyl)-1H-pyrazol-3-yl]oxy}ethyl acetate

생성물 1

HCID 22281958
2-{[5-{[(4-tert-butylphenyl)sulfonyl]amino}-1-methyl-4-(4-methylphenyl)-1H-pyrazol-3-yl]oxy}ethyl Acetate

출처 및 근거

ORD 기록
ord-1082459545c54557b06e36da54ce5ee5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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