Ethyl Acetate → 4-[4-Acetyl-7-(1-hydroxycyclohexyl)heptyl]benzoic Acid

반응식

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

참가 물질

반응물 3

HCID 8857Ethyl Acetate

HCID 20386045HCID 20386045, 화합물

HCID 178418361HCID 178418361, 화합물

생성물 1

HCID 203861024-[4-Acetyl-7-(1-hydroxycyclohexyl)heptyl]benzoic Acid

출처 및 근거

ORD 기록: ord-81f00173faff4d3b8a0f2835e45920fc
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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