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Sodium Ion → Piperazine,1-[6-[3-(3-methylbutyl)-2-oxo-1-imidazolidinyl]-3-pyridazinyl]-4-[2-(trifluoromethyl)benzoyl]-

HRID 1543978
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HRID 1543978 반응식
[F:1][C:2]([c:3]1[c:4]([C:5](=[O:6])[N:7]2[CH2:8][CH2:9][N:10]([c:13]3[cH:14][cH:15][c:16]([N:19]4[C:20](=[O:24])[NH:21][CH2:22][CH2:23]4)[n:17][n:18]3)[CH2:11][CH2:12]2)[cH:25][cH:26][cH:27][cH:28]1)([F:29])[F:30].[H-:31].[I:33][CH2:34][CH2:35][CH:36]([CH3:37])[CH3:38].[Na+:32].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[OH2:39]>>[F:1][C:2]([c:3]1[c:4]([C:5](=[O:6])[N:7]2[CH2:8][CH2:9][N:10]([c:13]3[cH:14][cH:15][c:16]([N:19]4[C:20](=[O:24])[N:21]([CH2:34][CH2:35][CH:36]([CH3:37])[CH3:38])[CH2:22][CH2:23]4)[n:17][n:18]3)[CH2:11][CH2:12]2)[cH:25][cH:26][cH:27][cH:28]1)([F:29])[F:30]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 109241-Iodo-3-methylbutaneHCID 166653HydrideHCID 115608011-{6-[4-(2-Trifluoromethylbenzoyl)piperazin-1-yl]pyridazin-3-yl}imidazolidin-2-one

생성물 1

HCID 11684584
Piperazine,1-[6-[3-(3-methylbutyl)-2-oxo-1-imidazolidinyl]-3-pyridazinyl]-4-[2-(trifluoromethyl)benzoyl]-

출처 및 근거

ORD 기록
ord-ea0513e022b14b038051a293e692a11c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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