Ethanol → HCID 9851483, 화합물
반응식
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH2:7][N:8]([CH2:40][c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[CH2:9][CH:10]1[c:11]1[cH:12][cH:13][c:14]([NH:17][C:18]([CH2:19][c:20]2[cH:21][c:22]([O:37][CH3:38])[c:23]([NH:26][C:27](=[O:28])[NH:29][c:30]3[c:31]([CH3:36])[cH:32][cH:33][cH:34][cH:35]3)[cH:24][cH:25]2)=[O:39])[cH:15][cH:16]1.[CH3:49][C:50]#[N:51].[CH3:52][CH2:53][OH:54].[Na+:48].[OH-:47]>>[O:3]=[C:4]([OH:5])[CH:6]1[CH2:7][N:8]([CH2:40][c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[CH2:9][CH:10]1[c:11]1[cH:12][cH:13][c:14]([NH:17][C:18]([CH2:19][c:20]2[cH:21][c:22]([O:37][CH3:38])[c:23]([NH:26][C:27](=[O:28])[NH:29][c:30]3[c:31]([CH3:36])[cH:32][cH:33][cH:34][cH:35]3)[cH:24][cH:25]2)=[O:39])[cH:15][cH:16]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-ad954a4605884b2f968517b555f84c86
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)