반응식
[CH3:34][CH2:35][O:36][CH2:37][CH2:38][OH:39].[Cl:1][c:2]1[c:3]([C:16]#[N:17])[cH:4][n:5][c:6]2[cH:7][c:8]([O:14][CH3:15])[c:9]([O:12][CH3:13])[cH:10][c:11]12.[ClH:18].[NH2:25][c:26]1[c:27]([OH:33])[cH:28][c:29]([OH:30])[cH:31][cH:32]1.[n:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1>>[c:2]1([NH:25][c:26]2[c:27]([OH:33])[cH:28][c:29]([OH:30])[cH:31][cH:32]2)[c:3]([C:16]#[N:17])[cH:4][n:5][c:6]2[cH:7][c:8]([O:14][CH3:15])[c:9]([O:12][CH3:13])[cH:10][c:11]12참가 물질
6
출처 및 근거
- ORD 기록
- ord-96c52cf1bce64efaa4b6905e4364caa3
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
연결된 노트
불러오는 중…