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1,2-Dichloroethane → 4-[2-Fluoro-4-(trifluoromethyl)phenyl]-2-methyl-N-(7-methyl-1H-indazol-5-yl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxamide

HRID 2154184
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HRID 2154184 반응식
[CH2:34]([Cl:35])[CH2:36][Cl:37].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[ClH:56].[F:1][c:2]1[c:3]([CH:12]2[C:13]([C:20](=[O:21])[OH:22])=[C:14]([CH3:19])[NH:15][C:16](=[O:18])[CH2:17]2)[cH:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1.[NH2:23][c:24]1[cH:25][c:26]2[cH:27][n:28][nH:29][c:30]2[c:31]([CH3:33])[cH:32]1.[O:45]=[CH:46][N:47]([CH3:48])[CH3:49]>>[F:1][c:2]1[c:3]([CH:12]2[C:13]([C:20](=[O:21])[NH:23][c:24]3[cH:25][c:26]4[cH:27][n:28][nH:29][c:30]4[c:31]([CH3:33])[cH:32]3)=[C:14]([CH3:19])[NH:15][C:16](=[O:18])[CH2:17]2)[cH:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 13820227-methyl-1H-indazol-5-amineHCID 688271204-[2-Fluoro-4-(trifluoromethyl)phenyl]-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylic acid

생성물 1

HCID 114307384-[2-Fluoro-4-(trifluoromethyl)phenyl]-2-methyl-N-(7-methyl-1H-indazol-5-yl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxamide

출처 및 근거

ORD 기록
ord-67fb00345382485480cac8c1d096b6e7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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