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

HRID 135701
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HRID 135701 반응식
[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:15][C:16]([CH3:17])([O-:18])[CH3:19].[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:8]2[c:9](=[O:14])[nH:10][cH:11][cH:12][n:13]2)[CH2:6][CH2:7]1.[CH3:21][S:22]([O:23][CH2:26][CH2:27][O:28][c:29]1[c:30]([F:37])[cH:31][c:32]([F:36])[c:33]([F:35])[cH:34]1)(=[O:24])=[O:25].[K+:20].[OH2:38]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:8]2[c:9](=[O:14])[n:10]([CH2:26][CH2:27][O:28][c:29]3[c:30]([F:37])[cH:31][c:32]([F:36])[c:33]([F:35])[cH:34]3)[cH:11][cH:12][n:13]2)[CH2:6][CH2:7]1
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HCID 813Potassium CationHCID 962WaterHCID 8028TetrahydrofuranHCID 45749132-Methylpropan-2-olateHCID 693657953-(4-Methyl-1-piperazinyl)-2(1H)-pyrazinoneHCID 865916192-(2,4,5-Trifluorophenoxy)ethyl methanesulfonate

생성물 1

출처 및 근거

ORD 기록
ord-04cb6db8f3af4e21b4a9d3e441c7d486
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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HCID 10406705
1-[2-(2,4,5-Trifluorophenoxy)ethyl]-3-(4-methyl-1-piperazinyl)-2(1H)-pyrazinone