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Potassium Cation → Methyl {3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetate

HRID 137599
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HRID 137599 반응식
[C:27](=[O:28])([O-:29])[O-:30].[CH3:35][C:36]#[N:37].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9]([CH2:14][CH:15]([C:16]([F:17])([F:18])[F:19])[OH:20])[c:10](=[O:13])[nH:11][n:12]2)[cH:6][cH:7]1.[Cl:21][CH2:22][C:23](=[O:24])[O:25][CH3:26].[I-:34].[K+:31].[K+:32].[K+:33]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9]([CH2:14][CH:15]([C:16]([F:17])([F:18])[F:19])[OH:20])[c:10](=[O:13])[n:11]([CH2:22][C:23](=[O:24])[O:25][CH3:26])[n:12]2)[cH:6][cH:7]1
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7

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HCID 813Potassium Cation3회HCID 6342AcetonitrileHCID 7295Methyl chloroacetateHCID 19660Carbonate IonHCID 30165Iodide IonHCID 584601185-(4-Chlorophenyl)-4-(3,3,3-trifluoro-2-hydroxypropyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

생성물 1

출처 및 근거

ORD 기록
ord-9260b850b5234205ab76fe594ccc4dab
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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HCID 58011736
Methyl {3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetate