Water → N-Cyclopropyl-3-[3-[[1-[2-[2-(ethylamino)ethoxy]phenyl]-1-methylethyl]amino]-2-oxo-1(2H)-pyrazinyl]-4-methyl-benzamide
반응식
[CH3:35][CH2:36][NH2:37].[Cl:1][CH2:2][CH2:3][O:4][c:5]1[c:6]([C:11]([CH3:12])([CH3:13])[NH:14][c:15]2[c:16](=[O:34])[n:17](-[c:21]3[cH:22][c:23]([C:24](=[O:25])[NH:26][CH:27]4[CH2:28][CH2:29]4)[cH:30][cH:31][c:32]3[CH3:33])[cH:18][cH:19][n:20]2)[cH:7][cH:8][cH:9][cH:10]1.[OH2:38]>>[CH2:2]([CH2:3][O:4][c:5]1[c:6]([C:11]([CH3:12])([CH3:13])[NH:14][c:15]2[c:16](=[O:34])[n:17](-[c:21]3[cH:22][c:23]([C:24](=[O:25])[NH:26][CH:27]4[CH2:28][CH2:29]4)[cH:30][cH:31][c:32]3[CH3:33])[cH:18][cH:19][n:20]2)[cH:7][cH:8][cH:9][cH:10]1)[NH:37][CH2:36][CH3:35]참가 물질
4
출처 및 근거
- ORD 기록
- ord-d49d625fe167469c923c2fd6c406b0ad
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)