반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([Cl:30])[cH:11][c:12]([CH2:13][N:14]([c:15]2[cH:16][cH:17][c:18]([C:19]#[N:20])[cH:21][cH:22]2)[n:23]2[cH:24][n:25][n:26][cH:27]2)[cH:28][cH:29]1.[CH2:33]1[O:34][CH2:35][CH2:36][CH2:37]1.[CH3:31][OH:32].[CH3:38][CH2:39][O:40][C:41]([CH3:42])=[O:43]>>[OH:8][c:9]1[c:10]([Cl:30])[cH:11][c:12]([CH2:13][N:14]([c:15]2[cH:16][cH:17][c:18]([C:19]#[N:20])[cH:21][cH:22]2)[n:23]2[cH:24][n:25][n:26][cH:27]2)[cH:28][cH:29]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-21a5abb24d91449991b90ab869bd342a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
연결된 노트
불러오는 중…