Dimethylformamide → methyl 4-[4-[4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]-2-fluorophenoxy]-2,2-dimethylbutanoate

HRID 148909

반응식

HRID 148909 반응식
[Br:39][CH2:40][CH2:41][C:42]([C:43](=[O:44])[O:45][CH3:46])([CH3:47])[CH3:48].[C:33](=[O:34])([O-:35])[O-:36].[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:8]([C:9]([CH3:10])=[O:11])[CH:12]2[CH2:13][CH:14]([CH3:32])[N:15]([C:22]([c:23]3[cH:24][c:25]([F:30])[c:26]([OH:29])[cH:27][cH:28]3)=[O:31])[c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]32)[cH:6][cH:7]1.[Cs+:37].[Cs+:38].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:8]([C:9]([CH3:10])=[O:11])[CH:12]2[CH2:13][CH:14]([CH3:32])[N:15]([C:22]([c:23]3[cH:24][c:25]([F:30])[c:26]([O:29][CH2:40][CH2:41][C:42]([C:43](=[O:44])[O:45][CH3:46])([CH3:47])[CH3:48])[cH:27][cH:28]3)=[O:31])[c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]32)[cH:6][cH:7]1

참가 물질

6

반응물 5

HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 14928877Butanoic acid, 4-bromo-2,2-dimethyl-, methyl esterHCID 68923681N-(4-chlorophenyl)-N-[1-(3-fluoro-4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide

생성물 1

HCID 68919063methyl 4-[4-[4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]-2-fluorophenoxy]-2,2-dimethylbutanoate

출처 및 근거

ORD 기록
ord-18601ffc62cc42e082ba3cf8ff5f6b01
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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