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Potassium Cation → 1-[2-(2,4,5-Trifluorophenoxy)ethyl]-3-(4-isopropyl-1-piperazinyl)-2(1H)-pyrazinone

HRID 695546
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HRID 695546 반응식
[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:17][C:18]([CH3:19])([O-:20])[CH3:21].[CH3:23][S:24]([O:25][CH2:28][CH2:29][O:30][c:31]1[c:32]([F:39])[cH:33][c:34]([F:38])[c:35]([F:37])[cH:36]1)(=[O:26])=[O:27].[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][N:7]([c:10]2[c:11](=[O:16])[nH:12][cH:13][cH:14][n:15]2)[CH2:8][CH2:9]1.[K+:22].[OH2:40]>>[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][N:7]([c:10]2[c:11](=[O:16])[n:12]([CH2:28][CH2:29][O:30][c:31]3[c:32]([F:39])[cH:33][c:34]([F:38])[c:35]([F:37])[cH:36]3)[cH:13][cH:14][n:15]2)[CH2:8][CH2:9]1
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HCID 813Potassium CationHCID 962WaterHCID 8028TetrahydrofuranHCID 45749132-Methylpropan-2-olateHCID 693643353-(4-Isopropyl-1-piperazinyl)-2(1H)-pyrazinoneHCID 865916192-(2,4,5-Trifluorophenoxy)ethyl methanesulfonate

생성물 1

HCID 9978038
1-[2-(2,4,5-Trifluorophenoxy)ethyl]-3-(4-isopropyl-1-piperazinyl)-2(1H)-pyrazinone

출처 및 근거

ORD 기록
ord-b1974c22524d482384784e3eddf2d922
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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