Ethanol → Morpholine-4-carboxylic acid[1-(3-cyano-pyrrolidin-3-ylcarbamoyl)-2-cyclohexyl-ethyl]-amide
반응식
[CH2:1]([O:2][C:3](=[O:4])[N:11]1[CH2:12][C:13]([NH:16][C:17]([CH:18]([CH2:19][CH:20]2[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]2)[NH:26][C:27](=[O:28])[N:29]2[CH2:30][CH2:31][O:32][CH2:33][CH2:34]2)=[O:35])([C:36]#[N:37])[CH2:14][CH2:15]1)[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[CH3:38][OH:39].[CH3:40][CH2:41][OH:42].[Cl:43][CH2:44][Cl:45]>>[NH:11]1[CH2:12][C:13]([NH:16][C:17]([CH:18]([CH2:19][CH:20]2[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]2)[NH:26][C:27](=[O:28])[N:29]2[CH2:30][CH2:31][O:32][CH2:33][CH2:34]2)=[O:35])([C:36]#[N:37])[CH2:14][CH2:15]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-b73e7d79a73d4c62af5334b825aa2cf0
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)