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Potassium Cation → Ethyl 4-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]cyclohexyl]benzoate

HRID 95993
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HRID 95993 반응식
[CH2:1]([O:2][P:3]([O:4][CH2:5][CH3:6])(=[O:7])[CH2:9][C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[CH3:8].[CH:19](=[O:20])[CH:21]1[CH2:22][CH2:23][CH:24]([c:27]2[cH:28][cH:29][c:30]([C:31](=[O:32])[O:33][CH2:34][CH3:35])[cH:36][cH:37]2)[CH2:25][CH2:26]1.[H-:17].[K+:43].[Na+:18].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[S:38]([O-:39])([OH:40])(=[O:41])=[O:42]>>[CH:9]([C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])=[CH:19][CH:21]1[CH2:22][CH2:23][CH:24]([c:27]2[cH:28][cH:29][c:30]([C:31](=[O:32])[O:33][CH2:34][CH3:35])[cH:36][cH:37]2)[CH2:25][CH2:26]1
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참가 물질

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반응물 7

HCID 813Potassium CationHCID 923Sodium IonHCID 6228DimethylformamideHCID 61778Sulfate, hydrogenHCID 166653HydrideHCID 2773685tert-Butyl diethylphosphonoacetateHCID 86662114Ethyl trans-4-(4-formylcyclohexyl)benzoate

생성물 1

HCID 66739912Ethyl 4-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]cyclohexyl]benzoate

출처 및 근거

ORD 기록
ord-ba208379ef7a4c8b95f178193f8e59b4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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