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Potassium Cation → 1-[3-(2,4,5-Trifluorophenyl)propyl]-3-(4-tert-butoxycarbonyl-1-piperazinyl)-2(1H)-pyrazinone

HRID 99680
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HRID 99680 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15](=[O:20])[nH:16][cH:17][cH:18][n:19]2)[CH2:12][CH2:13]1.[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:21][C:22]([CH3:23])([O-:24])[CH3:25].[CH3:27][S:28]([O:29][CH2:32][CH2:33][CH2:34][c:35]1[c:36]([F:43])[cH:37][c:38]([F:42])[c:39]([F:41])[cH:40]1)(=[O:30])=[O:31].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[K+:26].[OH2:44]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15](=[O:20])[n:16]([CH2:32][CH2:33][CH2:34][c:35]3[c:36]([F:43])[cH:37][c:38]([F:42])[c:39]([F:41])[cH:40]3)[cH:17][cH:18][n:19]2)[CH2:12][CH2:13]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 813Potassium CationHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 45749132-Methylpropan-2-olateHCID 590138923-(4-tert-Butoxycarbonyl-1-piperazinyl)-2(1H)-pyrazinoneHCID 86591618HCID 86591618, 화합물

생성물 1

HCID 693661361-[3-(2,4,5-Trifluorophenyl)propyl]-3-(4-tert-butoxycarbonyl-1-piperazinyl)-2(1H)-pyrazinone

출처 및 근거

ORD 기록
ord-6183368088ab47b09b7c04b73ae37f80
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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