반응식
[CH3:38][CH2:39][OH:40].[ClH:29].[NH2:30][OH:31].[O:1]=[C:2]1[C:3]([C:27]#[N:28])=[C:4]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:5]2[cH:6][cH:7][c:8]([O:11][CH2:12][CH2:13][CH2:14][c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[cH:9][c:10]21.[cH:32]1[cH:33][cH:34][n:35][cH:36][cH:37]1>>[C:2]1(=[N:30][OH:31])[C:3]([C:27]#[N:28])=[C:4]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:5]2[cH:6][cH:7][c:8]([O:11][CH2:12][CH2:13][CH2:14][c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[cH:9][c:10]21참가 물질
6
출처 및 근거
- ORD 기록
- ord-c6185a2e62644446aa26b8152f45f36e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
연결된 노트
불러오는 중…