tert-Butyl isocyanate → 1-[2-Amino-6-(2,3,5,6-tetramethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
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[C:23]([CH3:24])([CH3:25])([CH3:26])[N:27]=[C:28]=[O:29].[CH3:1][c:2]1[c:3](-[c:11]2[cH:12][c:13]3[c:14]([n:15][c:16]([NH2:19])[n:17][cH:18]3)[n:20][c:21]2[NH2:22])[c:4]([CH3:10])[c:5]([CH3:9])[cH:6][c:7]1[CH3:8]>>[CH3:1][c:2]1[c:3](-[c:11]2[cH:12][c:13]3[c:14]([n:15][c:16]([NH2:19])[n:17][cH:18]3)[n:20][c:21]2[NH:22][C:28]([NH:27][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:29])[c:4]([CH3:10])[c:5]([CH3:9])[cH:6][c:7]1[CH3:8]참가 물질
3
출처 및 근거
- ORD 기록
- ord-20347a8f51f24c549a1360327bef0a17
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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