1-Isocyanato-2-(methylsulfanyl)benzene → 2-Methyl-N-(3-{1-[3-({[2-(methylsulfanyl)anilino]carbonyl}amino)propyl]-4-piperidinyl}phenyl)propanamide
반응식
[N:1](=[C:2]=[O:3])[c:4]1[c:5]([S:10][CH3:11])[cH:6][cH:7][cH:8][cH:9]1.[NH2:12][CH2:13][CH2:14][CH2:15][N:16]1[CH2:17][CH2:18][CH:19]([c:22]2[cH:23][c:24]([NH:28][C:29]([CH:30]([CH3:31])[CH3:32])=[O:33])[cH:25][cH:26][cH:27]2)[CH2:20][CH2:21]1>>[NH:1]([C:2](=[O:3])[NH:12][CH2:13][CH2:14][CH2:15][N:16]1[CH2:17][CH2:18][CH:19]([c:22]2[cH:23][c:24]([NH:28][C:29]([CH:30]([CH3:31])[CH3:32])=[O:33])[cH:25][cH:26][cH:27]2)[CH2:20][CH2:21]1)[c:4]1[c:5]([S:10][CH3:11])[cH:6][cH:7][cH:8][cH:9]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-3a5a6d28cebe42ada8ea9789def3aca9
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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