3,4-Dimethylbenzaldehyde → 4-{1-(3,4-Dimethyl-benzyl)-piperidin-4-ylamino}-6-ethyl-chromen-2-One
반응식
[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]2[c:6]([NH:14][CH:15]3[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]3)[cH:7][c:8](=[O:13])[o:9][c:10]2[cH:11][cH:12]1.[CH3:21][c:22]1[cH:23][c:24]([CH:25]=[O:26])[cH:27][cH:28][c:29]1[CH3:30]>>[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]2[c:6]([NH:14][CH:15]3[CH2:16][CH2:17][N:18]([CH2:25][c:24]4[cH:23][c:22]([CH3:21])[c:29]([CH3:30])[cH:28][cH:27]4)[CH2:19][CH2:20]3)[cH:7][c:8](=[O:13])[o:9][c:10]2[cH:11][cH:12]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-a93b9b8423d949ca88db42f1b6549768
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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