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Potassium Cation → 7-(4-chlorophenyl)-8-(pyridin-4-yl)-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one

HRID 215490
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HRID 215490 반응식
[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:18]3[cH:19][cH:20][n:21][cH:22][cH:23]3)[c:10]3[n:11]([n:12][cH:13]2)[c:14](=[O:17])[nH:15][n:16]3)[cH:6][cH:7]1.[Cl:30][CH2:31][c:32]1[cH:33][cH:34][c:35]([C:38]([F:39])([F:40])[F:41])[n:36][cH:37]1.[K+:24].[K+:25].[O-:26][C:27]([O-:28])=[O:29].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:18]3[cH:19][cH:20][n:21][cH:22][cH:23]3)[c:10]3[n:11]([n:12][cH:13]2)[c:14](=[O:17])[n:15]([CH2:31][c:32]2[cH:33][cH:34][c:35]([C:38]([F:39])([F:40])[F:41])[n:36][cH:37]2)[n:16]3)[cH:6][cH:7]1
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6

반응물 5

HCID 813Potassium Cation2회HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 27738105-(Chloromethyl)-2-(trifluoromethyl)pyridineHCID 597167437-(4-chlorophenyl)-8-(pyridin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one

생성물 1

HCID 11989761
7-(4-chlorophenyl)-8-(pyridin-4-yl)-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one

출처 및 근거

ORD 기록
ord-d7b20b069e4d4c7ebe9a66f8b82d269a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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