Ethyl Acetate → 8-s-Butyl-2-(3,5-dimethylpiperidin-1-ylmethyl)-1,4-dioxaspiro[4,5] decane

반응식

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

참가 물질

반응물 3

HCID 8857Ethyl Acetate

HCID 1182593,5-Dimethylpiperidine

HCID 146753578-s-Butyl-2-chloromethyl-1,4dioxaspiro [4,5] decane

생성물 1

HCID 146753758-s-Butyl-2-(3,5-dimethylpiperidin-1-ylmethyl)-1,4-dioxaspiro[4,5] decane

출처 및 근거

ORD 기록: ord-6aac07a40fc844ccbab66477f4a946f1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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