Benzene → 2-[1-Pentyl-3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-ureido]-3-methoxypropionaldehyde
반응식
[CH2:12]([CH2:13][CH2:14][CH2:15][CH3:16])[NH:17][CH:18]([CH:19]=[O:20])[CH2:21][O:22][CH3:23].[CH:1]1([c:4]2[n:5][n:6][c:7]([N:9]=[C:10]=[O:11])[s:8]2)[CH2:2][CH2:3]1.[cH:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[CH:1]1([c:4]2[n:5][n:6][c:7]([NH:9][C:10](=[O:11])[N:17]([CH2:12][CH2:13][CH2:14][CH2:15][CH3:16])[CH:18]([CH:19]=[O:20])[CH2:21][O:22][CH3:23])[s:8]2)[CH2:2][CH2:3]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-145ee67471a2400a8de04eedd77f23a0
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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