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Tetrahydrofuran → N-[(4-fluorophenyl)-methyl]-4-methyl-2-propyl-7-(trifluoromethyl)-quinoline-3-carboxylic acid amide

HRID 1232027
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HRID 1232027 반응식
[CH2:67]1[O:68][CH2:69][CH2:70][CH2:71]1.[CH3:34][c:35]1[c:36]([C:52](=[O:53])[OH:54])[c:37]([CH2:49][CH2:50][CH3:51])[n:38][c:39]2[cH:40][c:41]([C:45]([F:46])([F:47])[F:48])[cH:42][cH:43][c:44]12.[CH3:55][CH2:56][O:57][C:58]([CH3:59])=[O:60].[CH3:61][CH2:62][CH2:63][CH2:64][CH2:65][CH3:66].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH2:7])[cH:8][cH:9]1.[P-:10]([F:11])([F:12])([F:13])([F:14])([F:15])[F:16].[n:17]1([O:18][C:19]([N:20]([CH3:21])[CH3:22])=[N+:23]([CH3:24])[CH3:25])[c:26]2[n:27][cH:28][cH:29][cH:30][c:31]2[n:32][n:33]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:52]([c:36]2[c:35]([CH3:34])[c:44]3[c:39]([n:38][c:37]2[CH2:49][CH2:50][CH3:51])[cH:40][c:41]([C:45]([F:46])([F:47])[F:48])[cH:42][cH:43]3)=[O:53])[cH:8][cH:9]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 8028TetrahydrofuranHCID 8058HexaneHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 673264-FluorobenzylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 66583857
4-Methyl-2-propyl-7-(trifluoromethyl)quinoline-3-carboxylic acid

생성물 1

HCID 56847882N-[(4-fluorophenyl)-methyl]-4-methyl-2-propyl-7-(trifluoromethyl)-quinoline-3-carboxylic acid amide

출처 및 근거

ORD 기록
ord-676a91c1b9904b4783c9a91e5c0da00b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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