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Tetrahydrofuran → N-(2-((3-(dimethylamino)propyl)(methyl)amino)-5-(trifluoromethyl)phenyl)-2-fluoro-5-(3-(oxazol-5-yl)pyridin-2-yloxy)benzamide

HRID 1542677
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HRID 1542677 반응식
[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:23][N:24]([CH2:25][CH2:26][CH2:27][N:28]([c:29]1[c:30]([NH2:39])[cH:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]1)[CH3:40])[CH3:41].[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[F:1][c:2]1[c:3]([C:4](=[O:5])[Cl:6])[cH:7][c:8]([O:11][c:12]2[n:13][cH:14][cH:15][cH:16][c:17]2-[c:18]2[cH:19][n:20][cH:21][o:22]2)[cH:9][cH:10]1>>[F:1][c:2]1[c:3]([C:4](=[O:5])[NH:39][c:30]2[c:29]([N:28]([CH2:27][CH2:26][CH2:25][N:24]([CH3:23])[CH3:41])[CH3:40])[cH:34][cH:33][c:32]([C:35]([F:36])([F:37])[F:38])[cH:31]2)[cH:7][c:8]([O:11][c:12]2[n:13][cH:14][cH:15][cH:16][c:17]2-[c:18]2[cH:19][n:20][cH:21][o:22]2)[cH:9][cH:10]1
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참가 물질

5

반응물 4

HCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 16109009N~1~-[3-(dimethylamino)propyl]-N~1~-methyl-4-(trifluoromethyl)benzene-1,2-diamineHCID 866237882-Fluoro-5-(3-(oxazol-5-yl)pyridin-2-yloxy)benzoyl chloride

생성물 1

HCID 25102087N-(2-((3-(dimethylamino)propyl)(methyl)amino)-5-(trifluoromethyl)phenyl)-2-fluoro-5-(3-(oxazol-5-yl)pyridin-2-yloxy)benzamide

출처 및 근거

ORD 기록
ord-b3912519dc8d448681e4c1eb1ab7d0dd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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