Indole-3-Carboxaldehyde → N-benzyl-2-[4-(1H-indol-3-ylmethylene)-5-oxo-1-phenyl-4,5-dihydro-2,3,6,10b-tetraaza-benzo[e]azulen-6-yl]-N-isopropyl-acetamide
반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([C:9]([CH2:10][N:11]1[c:12]2[c:13]([cH:28][cH:29][cH:30][cH:31]2)-[n:14]2[c:15](-[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[n:16][n:17][c:18]2[CH2:19][C:20]1=[O:21])=[O:32])[CH:33]([CH3:34])[CH3:35].[nH:36]1[cH:37][c:38]([CH:45]=[O:46])[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]12>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([C:9]([CH2:10][N:11]1[c:12]2[c:13]([cH:28][cH:29][cH:30][cH:31]2)-[n:14]2[c:15](-[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[n:16][n:17][c:18]2[C:19](=[CH:45][c:38]2[cH:37][nH:36][c:44]3[c:39]2[cH:40][cH:41][cH:42][cH:43]3)[C:20]1=[O:21])=[O:32])[CH:33]([CH3:34])[CH3:35]참가 물질
3
출처 및 근거
- ORD 기록
- ord-14e2bfda290b451eb0c4a040b66db5bd
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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