Ethanol → 4-(1-Hydroxymethyl-heptyl)-benzoic acid methyl ester
반응식
[BH4-:20].[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([CH:10]([CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH3:16])[CH:17]=[O:18])[cH:8][cH:9]1)=[O:19].[CH3:22][CH2:23][OH:24].[Na+:21]>>[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([CH:10]([CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH3:16])[CH2:17][OH:18])[cH:8][cH:9]1)=[O:19]참가 물질
5
출처 및 근거
- ORD 기록
- ord-fd39fb538c7741a093b5dbad19235f53
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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