반응식
[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[N:8](=[C:9]=[S:10])[c:11]1[cH:12][c:13]([C:19]([F:20])([F:21])[F:22])[c:14]([C:15]#[N:16])[cH:17][cH:18]1.[OH:23][c:24]1[cH:25][cH:26][c:27]([NH:30][C:31]([C:32]#[N:33])([CH3:34])[CH3:35])[cH:28][cH:29]1>>[N:8]1([c:11]2[cH:12][c:13]([C:19]([F:20])([F:21])[F:22])[c:14]([C:15]#[N:16])[cH:17][cH:18]2)[C:9](=[S:10])[N:30]([c:27]2[cH:26][cH:25][c:24]([OH:23])[cH:29][cH:28]2)[C:31]([CH3:34])([CH3:35])[C:32]1=[NH:33]참가 물질
5
출처 및 근거
- ORD 기록
- ord-0def40613de047699071e23d220c3a2f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
연결된 노트
불러오는 중…