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Potassium Cation → methyl 2-[2-[4-(4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-on-1-yl)-3-fluorophenylthiomethyl]-5-chlorophenoxy]propionate

HRID 134629
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HRID 134629 반응식
[C:35](=[O:36])([O-:37])[O-:38].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[Cl:19][CH2:20][c:21]1[c:22]([O:23][CH:24]([C:25](=[O:26])[O:27][CH3:28])[CH3:29])[cH:30][c:31]([Cl:34])[cH:32][cH:33]1.[F:1][CH:2]([n:3]1[c:4]([CH3:17])[n:5][n:6](-[c:9]2[c:10]([F:16])[cH:11][c:12]([SH:15])[cH:13][cH:14]2)[c:7]1=[O:8])[F:18].[K+:39].[K+:40]>>[F:1][CH:2]([n:3]1[c:4]([CH3:17])[n:5][n:6](-[c:9]2[c:10]([F:16])[cH:11][c:12]([S:15][CH2:20][c:21]3[c:22]([O:23][CH:24]([C:25](=[O:26])[O:27][CH3:28])[CH3:29])[cH:30][c:31]([Cl:34])[cH:32][cH:33]3)[cH:13][cH:14]2)[c:7]1=[O:8])[F:18]
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반응물 5

HCID 813Potassium Cation2회HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 189810404-(4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-on-1-yl)-3-fluorothiophenolHCID 53768369Methyl 2-(2-chloromethyl-5-chlorophenoxy)propionate

생성물 1

HCID 18981038
methyl 2-[2-[4-(4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-on-1-yl)-3-fluorophenylthiomethyl]-5-chlorophenoxy]propionate

출처 및 근거

ORD 기록
ord-41fd16865e0d493dbc50ce1ee4b48fa2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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