Ethanol → HCID 66878002, 화합물
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][C:8]1([OH:22])[CH:9]2[CH:10]=[C:11]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[CH:12]([CH2:13]1)[CH2:14][CH2:15]2)=[O:23].[CH3:28][OH:29].[CH3:30][CH2:31][OH:32].[Li+:25].[OH-:24].[OH2:26].[OH2:27]>>[O:5]=[C:6]([CH2:7][C:8]1([OH:22])[CH:9]2[CH:10]=[C:11]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[CH:12]([CH2:13]1)[CH2:14][CH2:15]2)[OH:23]참가 물질
7
출처 및 근거
- ORD 기록
- ord-afb862d1a3a34a0c9f048302d9a773c2
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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