1-Methylpiperazine → N-[2-methyl-5-(2-morpholinopyrid-4-ylcarbonylamino)phenyl]-5-(4-methylpiperazin-1-yl)-2-nitrobenzamide
반응식
[CH3:1][c:2]1[c:3]([NH:23][C:24]([c:25]2[c:26]([N+:32](=[O:33])[O-:34])[cH:27][cH:28][c:29]([Cl:31])[cH:30]2)=[O:35])[cH:4][c:5]([NH:8][C:9](=[O:10])[c:11]2[cH:12][c:13]([N:17]3[CH2:18][CH2:19][O:20][CH2:21][CH2:22]3)[n:14][cH:15][cH:16]2)[cH:6][cH:7]1.[CH3:36][N:37]1[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]1>>[CH3:1][c:2]1[c:3]([NH:23][C:24]([c:25]2[c:26]([N+:32](=[O:33])[O-:34])[cH:27][cH:28][c:29]([N:40]3[CH2:39][CH2:38][N:37]([CH3:36])[CH2:42][CH2:41]3)[cH:30]2)=[O:35])[cH:4][c:5]([NH:8][C:9](=[O:10])[c:11]2[cH:12][c:13]([N:17]3[CH2:18][CH2:19][O:20][CH2:21][CH2:22]3)[n:14][cH:15][cH:16]2)[cH:6][cH:7]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-7220a40f90524ecc8e4e7e7aef23517a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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