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Lithium ion → N-[2,6-bis(1-methylethyl)-phenyl]-2-oxo-3-(5-phenoxypentyl)-3-phenyl-cyclohexane carboxamide

HRID 90999
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HRID 90999 반응식
[CH:26]([CH3:27])([CH3:28])[c:29]1[c:30]([N:38]=[C:39]=[O:40])[c:31]([CH:35]([CH3:36])[CH3:37])[cH:32][cH:33][cH:34]1.[CH:41]([N-:42][CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[Li+:48].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][C:13]1([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[C:14](=[O:19])[CH2:15][CH2:16][CH2:17][CH2:18]1>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][C:13]1([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[C:14](=[O:19])[CH:15]([C:39]([NH:38][c:30]2[c:29]([CH:26]([CH3:27])[CH3:28])[cH:34][cH:33][cH:32][c:31]2[CH:35]([CH3:36])[CH3:37])=[O:40])[CH2:16][CH2:17][CH2:18]1
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반응물 4

HCID 28486Lithium ionHCID 922592,6-Diisopropylphenyl isocyanateHCID 5062348DiisopropylamideHCID 198957232-(5-Phenoxypentyl)-2-phenylcyclohexanone

생성물 1

HCID 19895729N-[2,6-bis(1-methylethyl)-phenyl]-2-oxo-3-(5-phenoxypentyl)-3-phenyl-cyclohexane carboxamide

출처 및 근거

ORD 기록
ord-e93dd71dda554bed8496e31a3168ee14
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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