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Ethanol → 2-[(2-Chloro-6-methylbenzoyl)amino]-3-[4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)pyridin-3-yl]phenyl]propanoic acid

HRID 1546690
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인쇄 미리보기

반응식

HRID 1546690 반응식
[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6](=[O:7])[c:8]1[c:9]([Cl:15])[cH:10][cH:11][cH:12][c:13]1[CH3:14])[CH2:16][c:17]1[cH:18][cH:19][c:20](-[c:23]2[c:24](=[O:35])[n:25]([CH3:34])[c:26]([CH3:33])[cH:27][c:28]2[C:29]([F:30])([F:31])[F:32])[cH:21][cH:22]1)=[O:36].[CH3:39][CH2:40][OH:41].[Na+:38].[OH-:37]>>[O:2]=[C:3]([CH:4]([NH:5][C:6](=[O:7])[c:8]1[c:9]([Cl:15])[cH:10][cH:11][cH:12][c:13]1[CH3:14])[CH2:16][c:17]1[cH:18][cH:19][c:20](-[c:23]2[c:24](=[O:35])[n:25]([CH3:34])[c:26]([CH3:33])[cH:27][c:28]2[C:29]([F:30])([F:31])[F:32])[cH:21][cH:22]1)[OH:36]
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반응물 4

HCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 22382038Methyl 2-[(2-chloro-6-methylbenzoyl)amino]-3-[4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)pyridin-3-yl]phenyl]propanoate

생성물 1

HCID 102291492-[(2-Chloro-6-methylbenzoyl)amino]-3-[4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)pyridin-3-yl]phenyl]propanoic acid

출처 및 근거

ORD 기록
ord-fed0afe17ccc4830afdcf7d7f80fbf12
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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