Ethanol → HCID 136058327, 화합물
반응식
[CH2:27]([Cl:28])[Cl:29].[CH3:1][C:2]1([CH3:14])[CH2:3][C:4]([OH:13])=[C:5]([C:9]([CH2:10][CH3:11])=[O:12])[C:6](=[O:8])[CH2:7]1.[CH3:24][CH2:25][OH:26].[Cl:15][c:16]1[cH:17][cH:18][c:19]([CH2:21][O:22][NH2:23])[s:20]1>>[CH3:1][C:2]1([CH3:14])[CH2:3][C:4]([OH:13])=[C:5]([C:9]([CH2:10][CH3:11])=[N:23][O:22][CH2:21][c:19]2[cH:18][cH:17][c:16]([Cl:15])[s:20]2)[C:6](=[O:8])[CH2:7]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-7b1ff07c0f86431b9febcdecd91c08fb
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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