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Hydrochloric Acid → N-(2-(4-fluorophenyl)-2-oxo-1-((4-(trifluoromethyl)phenyl)methyl)ethyl)-4-oxo-4H-pyran-2-carboxamide

HRID 2125410
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HRID 2125410 반응식
[CH2:35]([N:36]=[C:37]=[N:38][CH2:39][CH2:40][CH2:41][N:42]([CH3:43])[CH3:44])[CH3:45].[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[ClH:1].[ClH:34].[ClH:56].[F:2][c:3]1[cH:4][cH:5][c:6]([C:9]([CH:10]([CH2:11][c:12]2[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[NH2:22])=[O:23])[cH:7][cH:8]1.[O:24]=[c:25]1[cH:26][c:27]([C:31](=[O:32])[OH:33])[o:28][cH:29][cH:30]1.[OH2:62].[OH:46][n:47]1[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[F:2][c:3]1[cH:4][cH:5][c:6]([C:9]([CH:10]([CH2:11][c:12]2[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[NH:22][C:31]([c:27]2[cH:26][c:25](=[O:24])[cH:30][cH:29][o:28]2)=[O:32])=[O:23])[cH:7][cH:8]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric Acid3회HCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 12305536Comanic AcidHCID 222621962-Amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one

생성물 1

HCID 22261520N-(2-(4-fluorophenyl)-2-oxo-1-((4-(trifluoromethyl)phenyl)methyl)ethyl)-4-oxo-4H-pyran-2-carboxamide

출처 및 근거

ORD 기록
ord-9de29c54b9cc450c897b274f8e8158cd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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