Ethyl Acetate → Ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxybutanoate

HRID 186451

반응식

HRID 186451 반응식
[CH3:14][CH2:15][O:16][C:17]([CH3:18])=[O:19].[CH3:1][C:2](=[O:3])[c:4]1[cH:5][c:6]2[c:7]([cH:12][cH:13]1)[O:8][CH2:9][CH2:10][O:11]2.[Cl:20][c:21]1[cH:22][cH:23][c:24]([C:25]([CH:26]2[CH2:27][CH2:28]2)([OH:29])[CH2:30][C:31]([O:32][CH2:33][CH3:34])=[O:35])[cH:36][cH:37]1>>[CH3:1][C:2]([OH:3])([c:4]1[cH:5][c:6]2[c:7]([cH:12][cH:13]1)[O:8][CH2:9][CH2:10][O:11]2)[CH2:18][C:17]([O:16][CH2:15][CH3:14])=[O:19]

참가 물질

4

반응물 3

HCID 8857Ethyl AcetateHCID 761431,4-Benzodioxan-6-yl methyl ketoneHCID 12168030Ethyl 3-(4-chlorophenyl)-3-cyclopropyl-3-hydroxypropanoate

생성물 1

HCID 55071354Ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxybutanoate

출처 및 근거

ORD 기록
ord-04cafb865ae64bd8b4967c8ae29a34ad
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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