반응식
[CH2:25]1[O:26][CH2:27][CH2:28][CH2:29]1.[CH3:15][c:16]1[n:17][c:18]([Cl:24])[c:19]([CH3:23])[c:20]([Cl:22])[n:21]1.[H-:13].[Na+:14].[c:1]1([CH3:12])[c:2]([CH2:9][C:10]#[N:11])[c:3]([CH3:8])[cH:4][c:5]([CH3:7])[cH:6]1>>[c:1]1([CH3:12])[c:2]([CH:9]([C:10]#[N:11])[c:20]2[c:19]([CH3:23])[c:18]([Cl:24])[n:17][c:16]([CH3:15])[n:21]2)[c:3]([CH3:8])[cH:4][c:5]([CH3:7])[cH:6]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-a10418e5691e4cc890587ca5403bc8f0
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
연결된 노트
불러오는 중…