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Dimethylformamide → 2-(2,6-Difluorophenyl)-5-[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]anilino]-1,3-oxazole-4-carboxamide

HRID 110911
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HRID 110911 반응식
[C:1]([NH2:2])(=[O:3])[c:4]1[n:5][c:6](-[c:19]2[c:20]([F:26])[cH:21][cH:22][cH:23][c:24]2[F:25])[o:7][c:8]1[NH:9][c:10]1[cH:11][cH:12][c:13]([C:14](=[O:15])[OH:16])[cH:17][cH:18]1.[CH:51]([N:52]([CH:53]([CH3:54])[CH3:55])[CH2:56][CH3:57])([CH3:58])[CH3:59].[NH:60]1[CH:61]([CH2:62][OH:63])[CH2:64][CH2:65][CH2:66]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[P-:27]([F:28])([F:29])([F:30])([F:31])([F:32])[F:33].[n:34]1([O:35][C:36]([N:37]([CH3:38])[CH3:39])=[N+:40]([CH3:41])[CH3:42])[c:43]2[n:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[C:1]([NH2:2])(=[O:3])[c:4]1[n:5][c:6](-[c:19]2[c:20]([F:26])[cH:21][cH:22][cH:23][c:24]2[F:25])[o:7][c:8]1[NH:9][c:10]1[cH:11][cH:12][c:13]([C:14](=[O:15])[N:60]2[CH:61]([CH2:62][OH:63])[CH2:64][CH2:65][CH2:66]2)[cH:17][cH:18]1
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참가 물질

7

반응물 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 90908ProlinolHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 595876424-(4-Carbamoyl-2-(2,6-difluorophenyl)oxazol-5-ylamino)benzoic acid

생성물 1

HCID 68516405
2-(2,6-Difluorophenyl)-5-[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]anilino]-1,3-oxazole-4-carboxamide

출처 및 근거

ORD 기록
ord-33b44314f26744b4aa1a814ab5eb34ec
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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