Benzyl isocyanate → 1-benzyl-3-[6-methoxy-7-(N-methylpiperidin-4-ylmethoxy)quinazolin-4-yl]urea
반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]=[C:9]=[O:10].[NH2:11][c:12]1[n:13][cH:14][n:15][c:16]2[cH:17][c:18]([O:24][CH2:25][CH:26]3[CH2:27][CH2:28][N:29]([CH3:32])[CH2:30][CH2:31]3)[c:19]([O:22][CH3:23])[cH:20][c:21]12>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][C:9](=[O:10])[NH:11][c:12]1[n:13][cH:14][n:15][c:16]2[cH:17][c:18]([O:24][CH2:25][CH:26]3[CH2:27][CH2:28][N:29]([CH3:32])[CH2:30][CH2:31]3)[c:19]([O:22][CH3:23])[cH:20][c:21]12참가 물질
3
출처 및 근거
- ORD 기록
- ord-9e5d33fc6fff4baf8a67e88326315959
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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