Beta-Alanine → 3-[3-[(3,4-dichlorophenyl)methyl-methyl-carbamoyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propanoic acid
반응식
[Cl:7][c:8]1[cH:9][c:10]([CH2:11][N:12]([C:13](=[O:14])[C:15]2=[C:19]([OH:20])[C:18](=[O:21])[N:17]([CH3:22])[CH2:16]2)[CH3:23])[cH:24][cH:25][c:26]1[Cl:27].[NH2:1][CH2:2][CH2:3][C:4](=[O:5])[OH:6]>>[N:1]1([CH2:2][CH2:3][C:4](=[O:5])[OH:6])[CH2:16][C:15]([C:13]([N:12]([CH2:11][c:10]2[cH:9][c:8]([Cl:7])[c:26]([Cl:27])[cH:25][cH:24]2)[CH3:23])=[O:14])=[C:19]([OH:20])[C:18]1=[O:21]참가 물질
3
출처 및 근거
- ORD 기록
- ord-9218b3324bb848a2befb96000584c808
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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