Benzene → HCID 178470913, 화합물
반응식
[CH2:13]1[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]1.[CH2:19]([CH3:20])[O:21][C:22]([CH2:23][C:24](=[O:25])[CH:26]1[N:27]([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[CH2:28][CH2:29][CH2:30]1)=[O:38].[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]([CH2:9][C:10](=[O:11])[OH:12])[cH:7][cH:8]1.[cH:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[CH:1]([c:3]1[cH:4][cH:5][c:6]([CH2:9][C:10](=[O:11])[OH:12])[cH:7][cH:8]1)=[C:23]([C:22]([O:21][CH2:19][CH3:20])=[O:38])[C:24](=[O:25])[CH:26]1[N:27]([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[CH2:28][CH2:29][CH2:30]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-625771519cae426fada1d55b6530e61d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)