반응식
[CH3:12][CH:13]([CH2:14][CH2:15][OH:16])[CH2:17][CH2:18][CH:19]=[C:20]([CH3:21])[CH3:22].[CH:1](=[O:2])[c:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1[C:9]([OH:10])=[O:11].[CH:23]1([N:24]=[C:25]=[N:26][CH:27]2[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]2)[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]1.[Cl:38][CH2:39][Cl:40]>>[CH:1](=[O:2])[c:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1[C:9]([O:10][CH2:15][CH2:14][CH:13]([CH3:12])[CH2:17][CH2:18][CH:19]=[C:20]([CH3:21])[CH3:22])=[O:11]참가 물질
5
출처 및 근거
- ORD 기록
- ord-08a2847a7753489997c5a4b972f4ee5c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
연결된 노트
불러오는 중…