반응식
[C:22]([CH3:23])([CH3:24])([CH3:25])[c:26]1[cH:27][cH:28][c:29]([SH:30])[cH:31][cH:32]1.[CH3:36][CH2:37][OH:38].[Cl:18][CH2:19][C:20]#[N:21].[Na+:34].[OH-:33].[OH2:35].[SH:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1.[c:1]1([S:7][CH2:8][C:9]#[N:10])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7][CH2:8][C:9]#[N:10])[cH:2][cH:3][c:4]([C:22]([CH3:23])([CH3:24])[CH3:25])[cH:5][cH:6]1참가 물질
9
출처 및 근거
- ORD 기록
- ord-3717e87edb344d8c90430e457379f74d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
연결된 노트
불러오는 중…