Ethyl Acetate → Ethyl 3-[4-[5-(3,3-dimethylbutanoylamino)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-3-yl]phenyl]prop-2-enoate

반응식

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

참가 물질

반응물 2

HCID 8857Ethyl Acetate

HCID 23113872N-(3-(4-Formylphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylbutanamide

생성물 1

HCID 91577430Ethyl 3-[4-[5-(3,3-dimethylbutanoylamino)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-3-yl]phenyl]prop-2-enoate

출처 및 근거

ORD 기록: ord-87f2c118c0424793b31cc1ab6f7e6f04
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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