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Acetic Acid → 1,1,1-trifluoro-N-((3-(3-methyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)pyridin-4-yl)methyl)methane-sulfonamide

HRID 121887
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인쇄 미리보기

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HRID 121887 반응식
[C:32]([O:33][BH-:34]([O:35][C:36](=[O:37])[CH3:38])[O:39][C:40](=[O:41])[CH3:42])(=[O:43])[CH3:44].[CH3:1][n:2]1[c:3](=[O:19])[o:4][c:5]2[c:6]1[cH:7][c:8](-[c:11]1[c:12]([CH:13]=[O:14])[cH:15][cH:16][n:17][cH:18]1)[cH:9][cH:10]2.[CH3:28][C:29](=[O:30])[OH:31].[Cl:46][CH2:47][Cl:48].[F:20][C:21]([S:22](=[O:23])(=[O:24])[NH2:25])([F:26])[F:27].[Na+:45]>>[CH3:1][n:2]1[c:3](=[O:19])[o:4][c:5]2[c:6]1[cH:7][c:8](-[c:11]1[c:12]([CH2:13][NH:25][S:22]([C:21]([F:20])([F:26])[F:27])(=[O:23])=[O:24])[cH:15][cH:16][n:17][cH:18]1)[cH:9][cH:10]2
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 176Acetic AcidHCID 923Sodium IonHCID 6344DichloromethaneHCID 79001TrifluoromethylsulfonamideHCID 2724942TriacetoxyborohydrideHCID 866633583-(3-Methyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)isonicotinaldehyde

생성물 1

HCID 49801717
1,1,1-trifluoro-N-((3-(3-methyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)pyridin-4-yl)methyl)methane-sulfonamide

출처 및 근거

ORD 기록
ord-e8b6086e4b5f427485bdfb8bf001e010
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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