반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH2:9][OH:10])[c:11]1[cH:12][cH:13][c:14]([I:17])[cH:15][cH:16]1)=[O:18].[CH3:19][O:20][C:21]([CH3:22])([CH3:23])[O:24][CH3:25].[Cl:38][CH2:39][Cl:40].[OH2:26].[c:27]1([CH3:28])[cH:29][cH:30][c:31]([S:32]([OH:33])(=[O:34])=[O:35])[cH:36][cH:37]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]1[CH:8]([c:11]2[cH:12][cH:13][c:14]([I:17])[cH:15][cH:16]2)[CH2:9][O:10][C:21]1([CH3:22])[CH3:23])=[O:18]참가 물질
6
출처 및 근거
- ORD 기록
- ord-c8068b3da45e498584e38764feecd02f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
연결된 노트
불러오는 중…