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Acetic Acid → 7-(2-methoxypropan-2-yl)-2,2-dimethyl-3-oxa-1-azabicyclo[4.2.0]octan-8-one

HRID 2333952
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인쇄 미리보기

반응식

HRID 2333952 반응식
[CH3:18][O:19][S:20]([O:21][CH3:22])(=[O:23])=[O:24].[CH3:25][C:26](=[O:27])[OH:28].[CH3:29][N:30]([CH3:31])[CH:32]=[O:33].[CH3:3][C:4]1([CH3:17])[N:5]2[C:6](=[O:16])[CH:7]([C:12]([CH3:13])([CH3:14])[OH:15])[CH:8]2[CH2:9][CH2:10][O:11]1.[H-:1].[Na+:2]>>[CH3:3][C:4]1([CH3:17])[N:5]2[C:6](=[O:16])[CH:7]([C:12]([CH3:13])([CH3:14])[O:15][CH3:18])[CH:8]2[CH2:9][CH2:10][O:11]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 176Acetic AcidHCID 923Sodium IonHCID 6228DimethylformamideHCID 6497Dimethyl SulfateHCID 166653HydrideHCID 131944137-(2-Hydroxypropan-2-yl)-2,2-dimethyl-3-oxa-1-azabicyclo[4.2.0]octan-8-one

생성물 1

HCID 1784948987-(2-methoxypropan-2-yl)-2,2-dimethyl-3-oxa-1-azabicyclo[4.2.0]octan-8-one

출처 및 근거

ORD 기록
ord-30b0cda80b2941c09a943cb19cdb7e4f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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