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Acetate → 3-(4-cyano-5-ethylsulfonylamino-2-fluorophenyl)-1-methyl-6-trifluoromethyl-2,4(1H,3H)-pyrimidinedione

HRID 2345923
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HRID 2345923 반응식
[Br:1][c:2]1[cH:3][c:4]([F:27])[c:5](-[n:14]2[c:15](=[O:26])[n:16]([CH3:25])[c:17]([C:21]([F:22])([F:23])[F:24])[cH:18][c:19]2=[O:20])[cH:6][c:7]1[NH:8][S:9](=[O:10])(=[O:11])[CH2:12][CH3:13].[C:33]([O-:34])(=[O:35])[CH3:36].[C:38]([O-:39])(=[O:40])[CH3:41].[Cl-:42].[Cl-:44].[H-:28].[Na+:29].[Na:30][C:31]#[N:32].[Pd+2:37].[Zn+2:43]>>[c:2]1([C:31]#[N:32])[cH:3][c:4]([F:27])[c:5](-[n:14]2[c:15](=[O:26])[n:16]([CH3:25])[c:17]([C:21]([F:22])([F:23])[F:24])[cH:18][c:19]2=[O:20])[cH:6][c:7]1[NH:8][S:9](=[O:10])(=[O:11])[CH2:12][CH3:13]
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참가 물질

9

반응물 8

HCID 175Acetate2회HCID 312Chloride2회HCID 923Sodium IonHCID 32051Zinc(2+)HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 166653HydrideHCID 10874406
3-(4-bromo-5-ethylsulfonylamino-2-fluorophenyl)-1-methyl-6-trifluoromethyl-2,4(1H,3H)pyrimidinedione
HCID 178511850HCID 178511850, 화합물

생성물 1

HCID 110910773-(4-cyano-5-ethylsulfonylamino-2-fluorophenyl)-1-methyl-6-trifluoromethyl-2,4(1H,3H)-pyrimidinedione

출처 및 근거

ORD 기록
ord-696f4c16edcd4b24a1cca8fd2699320a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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