5-Isocyanatoisoquinoline → N-(4-bromo-3-fluorobenzyl)-N'-(3-methyl-5-isoquinolinyl)urea
반응식
[Br:1][c:2]1[c:3]([F:10])[cH:4][c:5]([CH2:6][NH2:7])[cH:8][cH:9]1.[N:11](=[C:12]=[O:13])[c:14]1[c:15]2[cH:16][c:17]([CH3:24])[n:18][cH:19][c:20]2[cH:21][cH:22][cH:23]1.[N:25]([c:26]1[cH:27][cH:28][cH:29][c:30]2[c:31]1[cH:32][cH:33][n:34][cH:35]2)=[C:36]=[O:37]>>[Br:1][c:2]1[c:3]([F:10])[cH:4][c:5]([CH2:6][NH:7][C:12]([NH:11][c:14]2[c:15]3[cH:16][c:17]([CH3:24])[n:18][cH:19][c:20]3[cH:21][cH:22][cH:23]2)=[O:13])[cH:8][cH:9]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-8250e8b4b5d04109aa406789d14cdae5
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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