반응식
[CH3:42][C:43]#[N:44].[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[CH2:8][CH2:9][N:10]([c:12]1[c:13]([C:14]#[N:15])[cH:16][c:17]([CH3:20])[cH:18][cH:19]1)[CH2:11]2.[n:21]1[cH:22][cH:23][cH:24][c:25]2[cH:26][cH:27][c:28]([CH2:31][NH2:32])[cH:29][c:30]12>>[c:2]1([NH:32][CH2:31][c:28]2[cH:27][cH:26][c:25]3[cH:24][cH:23][cH:22][n:21][c:30]3[cH:29]2)[c:3]2[c:4]([n:5][cH:6][n:7]1)[CH2:8][CH2:9][N:10]([c:12]1[c:13]([C:14]#[N:15])[cH:16][c:17]([CH3:20])[cH:18][cH:19]1)[CH2:11]2참가 물질
5
출처 및 근거
- ORD 기록
- ord-cce1afd8dddf4d68ae415277617a92b5
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
연결된 노트
불러오는 중…