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Sodium Ion → 3,5-Dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoic acid

HRID 1565047
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HRID 1565047 반응식
[CH2:1]([CH3:2])[O:3][C:4]([CH:5]=[C:6]([CH2:7][C:8]([CH3:9])([CH3:10])[NH:11][C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH3:19])=[O:20].[CH2:29]1[O:30][CH2:31][CH2:32][O:33][CH2:34]1.[CH3:23][O:24][C:25]([CH3:26])([CH3:27])[CH3:28].[Li+:21].[Na+:41].[OH-:22].[OH2:35].[S:36]([O-:37])([OH:38])(=[O:39])=[O:40]>>[O:3]=[C:4]([CH:5]=[C:6]([CH2:7][C:8]([CH3:9])([CH3:10])[NH:11][C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH3:19])[OH:20]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 15413tert-Butyl methyl etherHCID 28486Lithium ionHCID 312751,4-DioxaneHCID 61778Sulfate, hydrogenHCID 53748672Ethyl 3,5-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoate

생성물

출처 및 근거

ORD 기록
ord-38867f15defc4a529008633a375655ae
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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HCID 537762243,5-Dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoic acid