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Acetone → 4-fluoro-N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-3-[2-[methoxy(methyl)amino]-2-oxoethoxy]benzamide

HRID 91498
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인쇄 미리보기

반응식

HRID 91498 반응식
[C:1](=[O:2])([CH3:3])[O:4][c:5]1[cH:6][c:7]([C:8](=[O:9])[NH:10][c:11]2[cH:12][c:13]([C:22]([F:23])([F:24])[F:25])[c:14](-[n:17]3[cH:18][n:19][cH:20][cH:21]3)[cH:15][cH:16]2)[cH:26][cH:27][c:28]1[F:29].[C:32](=[O:33])([O-:34])[O-:35].[CH3:30][OH:31].[CH3:46][C:47](=[O:48])[CH3:49].[Cl:38][CH2:39][C:40](=[O:41])[N:42]([CH3:43])[O:44][CH3:45].[Cs+:36].[Cs+:37]>>[O:4]([c:5]1[cH:6][c:7]([C:8](=[O:9])[NH:10][c:11]2[cH:12][c:13]([C:22]([F:23])([F:24])[F:25])[c:14](-[n:17]3[cH:18][n:19][cH:20][cH:21]3)[cH:15][cH:16]2)[cH:26][cH:27][c:28]1[F:29])[CH2:39][C:40](=[O:41])[N:42]([CH3:43])[O:44][CH3:45]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 180AcetoneHCID 887MethanolHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 27347162-Chloro-N-methoxy-N-methylacetamideHCID 18007835[2-Fluoro-5-[[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate

생성물 1

HCID 18007805
4-fluoro-N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-3-[2-[methoxy(methyl)amino]-2-oxoethoxy]benzamide

출처 및 근거

ORD 기록
ord-e149c9801c9e456bb05c36f03b489070
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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