Isodecanol → Hexanoic acid, 3,5,5-trimethyl-, isodecyl ester
반응식
[CH2:12]([CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH:19]([CH3:20])[CH3:21])[OH:22].[CH3:1][CH:2]([CH2:3][C:4](=[O:5])[OH:6])[CH2:7][C:8]([CH3:9])([CH3:10])[CH3:11]>>[CH3:1][CH:2]([CH2:3][C:4]([O:5][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH:19]([CH3:20])[CH3:21])=[O:6])[CH2:7][C:8]([CH3:9])([CH3:10])[CH3:11]참가 물질
3
출처 및 근거
- ORD 기록
- ord-c0e08fed1574469d918fc103e96dfb3a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
반응 노트
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