Isobutyramide → N-[2-t-Butyl-5-(2-methylpropanoyl)aminocarbonylphenyl]-3-(2,4-dimethoxyphenyl)heptanamide
반응식
[C:7]([CH3:8])([CH3:9])([CH3:10])[c:11]1[c:12]([NH:20][C:21]([CH2:22][CH:23]([CH2:24][CH2:25][CH2:26][CH3:27])[c:28]2[c:29]([O:36][CH3:37])[cH:30][c:31]([O:34][CH3:35])[cH:32][cH:33]2)=[O:38])[cH:13][c:14]([C:17](=[O:18])[OH:19])[cH:15][cH:16]1.[CH3:1][CH:2]([C:3](=[O:4])[NH2:5])[CH3:6]>>[CH3:1][CH:2]([C:3](=[O:4])[NH:5][C:17]([c:14]1[cH:13][c:12]([NH:20][C:21]([CH2:22][CH:23]([CH2:24][CH2:25][CH2:26][CH3:27])[c:28]2[c:29]([O:36][CH3:37])[cH:30][c:31]([O:34][CH3:35])[cH:32][cH:33]2)=[O:38])[c:11]([C:7]([CH3:8])([CH3:9])[CH3:10])[cH:16][cH:15]1)=[O:19])[CH3:6]참가 물질
3
출처 및 근거
- ORD 기록
- ord-f00e400d5aa7432c90eb5afec7e34d21
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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