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Citric Acid → 6-[3-(4-Fluoro-phenyl)-5-hydroxymethyl-isoxazol-4-ylmethoxy]-nicotinic acid methyl ester

HRID 2331889
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반응식

HRID 2331889 반응식
[BH4-:27].[CH3:1][O:2][C:3]([c:4]1[cH:5][n:6][c:7]([O:10][CH2:11][c:12]2[c:13](-[c:19]3[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]3)[n:14][o:15][c:16]2[CH:17]=[O:18])[cH:8][cH:9]1)=[O:26].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH3:48][OH:49].[Na+:28].[OH:29][C:30]([CH2:31][C:32]([C:33](=[O:34])[OH:35])([CH2:36][C:37](=[O:38])[OH:39])[OH:40])=[O:41]>>[CH3:1][O:2][C:3]([c:4]1[cH:5][n:6][c:7]([O:10][CH2:11][c:12]2[c:13](-[c:19]3[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]3)[n:14][o:15][c:16]2[CH2:17][OH:18])[cH:8][cH:9]1)=[O:26]
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반응물 6

HCID 311Citric AcidHCID 887MethanolHCID 923Sodium IonHCID 8857Ethyl AcetateHCID 28123BorohydrideHCID 866462546-[3-(4-Fluoro-phenyl)-5-formyl-isoxazol-4-ylmethoxy]-nicotinic acid methyl ester

생성물 1

HCID 66718131
6-[3-(4-Fluoro-phenyl)-5-hydroxymethyl-isoxazol-4-ylmethoxy]-nicotinic acid methyl ester

출처 및 근거

ORD 기록
ord-be1113d021a94694bb40a926b53d1d73
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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