Ethyl Acetate → [2-Oxo-4-(3-oxo-4-phenoxybutyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate

반응식

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

참가 물질

반응물 2

HCID 8857Ethyl Acetate

HCID 66999952[2-Oxo-4-(3-oxo-4-phenoxybut-1-enyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate

생성물 1

HCID 20353414[2-Oxo-4-(3-oxo-4-phenoxybutyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate

출처 및 근거

ORD 기록: ord-bbdc3a9eea474aaf8c3e1448b1e7fbc2
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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