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Acetate → 4-{4-Chloro-3-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(4-methyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-propyl]-phenoxy}-benzoic acid methyl ester

HRID 1121513
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HRID 1121513 반응식
[C:42]([O-:43])(=[O:44])[CH3:45].[C:47]([O-:48])(=[O:49])[CH3:50].[CH3:29][O:30][C:31](=[O:32])[c:33]1[cH:34][cH:35][c:36]([B:39]([OH:40])[OH:41])[cH:37][cH:38]1.[Cl:1][c:2]1[c:3]([CH:9]([C:10]([C:11]([F:12])([F:13])[F:14])([OH:15])[c:16]2[cH:17][cH:18][c:19]3[c:20]([cH:27]2)[N:21]([CH3:26])[C:22](=[O:25])[CH2:23][O:24]3)[CH3:28])[cH:4][c:5]([OH:8])[cH:6][cH:7]1.[Cu+2:46].[cH:51]1[cH:52][cH:53][n:54][cH:55][cH:56]1>>[Cl:1][c:2]1[c:3]([CH:9]([C:10]([C:11]([F:12])([F:13])[F:14])([OH:15])[c:16]2[cH:17][cH:18][c:19]3[c:20]([cH:27]2)[N:21]([CH3:26])[C:22](=[O:25])[CH2:23][O:24]3)[CH3:28])[cH:4][c:5]([O:8][c:36]2[cH:35][cH:34][c:33]([C:31]([O:30][CH3:29])=[O:32])[cH:38][cH:37]2)[cH:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 175Acetate2회HCID 1049PyridineHCID 27099Cupric cationHCID 27343694-Methoxycarbonylphenylboronic acidHCID 666971956-[2-(2-Chloro-5-hydroxy-phenyl)-1-hydroxy-1-trifluoromethyl-propyl]-4-methyl-4H-benzo[1,4]oxazin-3-one

생성물 1

HCID 66697214
4-{4-Chloro-3-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(4-methyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-propyl]-phenoxy}-benzoic acid methyl ester

출처 및 근거

ORD 기록
ord-6564b47ce4674bd697252340060b0c90
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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