2,5-Dimethylphenyl isocyanate → 3-{4-[3-(2,5-dimethylphenyl)ureido]phenyl}-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
반응식
[CH3:20][c:21]1[cH:22][cH:23][c:24]([CH3:25])[c:26]([N:28]=[C:29]=[O:30])[cH:27]1.[NH2:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([C:17](=[O:18])[NH2:19])[nH:10][c:11]3[n:12][cH:13][cH:14][cH:15][c:16]23)[cH:6][cH:7]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([C:17](=[O:18])[NH2:19])[nH:10][c:11]3[n:12][cH:13][cH:14][cH:15][c:16]23)[cH:6][cH:7]1)[C:29]([NH:28][c:26]1[c:24]([CH3:25])[cH:23][cH:22][c:21]([CH3:20])[cH:27]1)=[O:30]참가 물질
3
출처 및 근거
- ORD 기록
- ord-327e5ff018a74b93bfb614301529ab9f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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