반응식
[C:29]([CH3:30])([CH3:31])([CH3:32])[c:33]1[cH:34][cH:35][c:36]([CH2:37][Br:38])[cH:39][cH:40]1.[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[c:6]1[c:7](-[c:15]2[cH:16][c:17]3[cH:18][cH:19][c:20]([O:25][CH2:26][C:27]#[N:28])[cH:21][c:22]3[cH:23][cH:24]2)[nH:8][c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]12>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[c:6]1[c:7](-[c:15]2[cH:16][c:17]3[cH:18][cH:19][c:20]([O:25][CH2:26][C:27]#[N:28])[cH:21][c:22]3[cH:23][cH:24]2)[n:8]([CH2:37][c:36]2[cH:35][cH:34][c:33]([C:29]([CH3:30])([CH3:31])[CH3:32])[cH:40][cH:39]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]12참가 물질
3
출처 및 근거
- ORD 기록
- ord-b5f70fb08aac4317a1aa0714b133dce1
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
연결된 노트
불러오는 중…