2-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol → 9-hydroxy-4-(4-hydroxy-3-methoxyphenyl)pyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
반응식
[CH3:21][O:22][c:23]1[c:24]([OH:38])[cH:25][cH:26][c:27]([B:29]2[O:30][C:31]([CH3:32])([CH3:33])[C:34]([CH3:35])([CH3:36])[O:37]2)[cH:28]1.[OH:1][c:2]1[cH:3][c:4]2[c:5]3[c:6]4[c:7]([c:8]([I:15])[cH:9][c:10]3[nH:11][c:12]2[cH:13][cH:14]1)[C:16](=[O:20])[NH:17][C:18]4=[O:19]>>[OH:1][c:2]1[cH:3][c:4]2[c:5]3[c:6]4[c:7]([c:8](-[c:27]5[cH:26][cH:25][c:24]([OH:38])[c:23]([O:22][CH3:21])[cH:28]5)[cH:9][c:10]3[nH:11][c:12]2[cH:13][cH:14]1)[C:16](=[O:20])[NH:17][C:18]4=[O:19]참가 물질
3
출처 및 근거
- ORD 기록
- ord-6a676a7c932f4ffea8c4b2db4733672c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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