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

HRID 135219
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반응식

HRID 135219 반응식
[CH2:33]([Cl:34])[CH2:35][Cl:36].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[ClH:55].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([CH:9]2[C:10]([C:17](=[O:18])[OH:19])=[C:11]([CH3:16])[NH:12][C:13](=[O:15])[CH2:14]2)[cH:7][cH:8]1)([F:20])[F:21].[NH2:22][c:23]1[cH:24][c:25]2[cH:26][n:27][nH:28][c:29]2[c:30]([CH3:32])[cH:31]1.[O:44]=[CH:45][N:46]([CH3:47])[CH3:48]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([CH:9]2[C:10]([C:17](=[O:18])[NH:22][c:23]3[cH:24][c:25]4[cH:26][n:27][nH:28][c:29]4[c:30]([CH3:32])[cH:31]3)=[C:11]([CH3:16])[NH:12][C:13](=[O:15])[CH2:14]2)[cH:7][cH:8]1)([F:20])[F:21]
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 160998632-Methyl-6-oxo-4-(4-(trifluoromethyl)phenyl)-1,4,5,6-tetrahydropyridine-3-carboxylic acid

생성물 1

HCID 114645152-Methyl-N-(7-methyl-1H-indazol-5-yl)-6-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydro-3-pyridinecarboxamide

출처 및 근거

ORD 기록
ord-6134c9e11f0a47f7bac1c40e0d9e008b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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