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Chloride → 3-(3-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy)benzyl)-5-methyl-5-(6-(methylsulfonyl)pyridin-3-yl)imidazolidine-2,4-dione

HRID 1548853
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HRID 1548853 반응식
[CH3:47][OH:48].[Cl-:49].[Cl-:51].[Cl-:52].[Cl-:53].[Cl-:54].[F:1][C:2]([C:3]([C:4]([F:5])([F:6])[F:7])([OH:8])[c:9]1[cH:10][c:11]([CH2:39][CH2:40][CH3:41])[c:12]([O:13][c:14]2[cH:15][c:16]([CH2:17][N:18]3[C:19](=[O:33])[NH:20][C:21]([c:24]4[cH:25][n:26][c:27]([S:30][CH3:31])[cH:28][cH:29]4)([CH3:32])[C:22]3=[O:23])[cH:34][cH:35][cH:36]2)[cH:37][cH:38]1)([F:42])[F:43].[OH2:46].[OH:44][OH:45].[Ta+5:50]>>[F:1][C:2]([C:3]([C:4]([F:5])([F:6])[F:7])([OH:8])[c:9]1[cH:10][c:11]([CH2:39][CH2:40][CH3:41])[c:12]([O:13][c:14]2[cH:15][c:16]([CH2:17][N:18]3[C:19](=[O:33])[NH:20][C:21]([c:24]4[cH:25][n:26][c:27]([S:30]([CH3:31])(=[O:46])=[O:48])[cH:28][cH:29]4)([CH3:32])[C:22]3=[O:23])[cH:34][cH:35][cH:36]2)[cH:37][cH:38]1)([F:42])[F:43]
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반응물 6

HCID 312Chloride5회HCID 784Hydrogen PeroxideHCID 887MethanolHCID 962WaterHCID 4532223Tantalum(5+)HCID 592010673-(3-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy)benzyl)-5-methyl-5-(6-(methylthio)pyridin-3-yl) imidazolidine-2,4-dione

생성물 1

HCID 59200984
3-(3-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy)benzyl)-5-methyl-5-(6-(methylsulfonyl)pyridin-3-yl)imidazolidine-2,4-dione

출처 및 근거

ORD 기록
ord-a382d399d71542038ac51ebdd108b080
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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