Ethanol → 1-[Cyclohexylmethyl(ethoxy)phosphoryl]-3-[1-(3,4-dichlorophenyl)ethylamino]propan-2-ol
반응식
[CH2:1]([CH3:2])[O:3][P:4](=[O:5])([CH2:6][CH:7]1[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1)[CH2:13][CH:14]([CH2:15][Cl:16])[OH:17].[CH3:29][CH2:30][OH:31].[Cl:18][c:19]1[cH:20][c:21]([CH:26]([CH3:27])[NH2:28])[cH:22][cH:23][c:24]1[Cl:25]>>[CH2:1]([CH3:2])[O:3][P:4](=[O:5])([CH2:6][CH:7]1[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1)[CH2:13][CH:14]([CH2:15][NH:28][CH:26]([c:21]1[cH:20][c:19]([Cl:18])[c:24]([Cl:25])[cH:23][cH:22]1)[CH3:27])[OH:17]참가 물질
4
출처 및 근거
- ORD 기록
- ord-6bd440941b5d49a19051196f8162965f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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