Ethanol → N-{1-(4-Cyclopropylbenzyl)-2-[(2-hydroxyethyl)amino]-2-oxoethyl}-4-(2-cyclopropylethoxy)benzamide
반응식
[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[CH3:33][CH2:34][OH:35].[CH:1]1([CH2:4][CH2:5][O:6][c:7]2[cH:8][cH:9][c:10]([C:11](=[O:12])[NH:13][C:14](=[CH:15][c:16]3[cH:17][cH:18][c:19]([CH:22]4[CH2:23][CH2:24]4)[cH:20][cH:21]3)[C:25](=[O:26])[NH:27][CH2:28][CH2:29][OH:30])[cH:31][cH:32]2)[CH2:2][CH2:3]1>>[CH:1]1([CH2:4][CH2:5][O:6][c:7]2[cH:8][cH:9][c:10]([C:11](=[O:12])[NH:13][CH:14]([CH2:15][c:16]3[cH:17][cH:18][c:19]([CH:22]4[CH2:23][CH2:24]4)[cH:20][cH:21]3)[C:25](=[O:26])[NH:27][CH2:28][CH2:29][OH:30])[cH:31][cH:32]2)[CH2:2][CH2:3]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-c2ec744d6b7d4df1a711052081028522
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)