반응식
[CH2:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[O:28][c:29]1[c:30]([Cl:36])[cH:31][c:32]([NH2:35])[cH:33][cH:34]1.[CH:44]([OH:45])([CH3:46])[CH3:47].[Cl:1][c:2]1[c:3]([C:19]#[N:20])[cH:4][n:5][c:6]2[cH:7][c:8]([O:16][CH2:17][CH3:18])[c:9]([NH:12][C:13]([CH3:14])=[O:15])[cH:10][c:11]12.[ClH:37].[n:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[c:2]1([NH:35][c:32]2[cH:31][c:30]([Cl:36])[c:29]([O:28][CH2:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[cH:34][cH:33]2)[c:3]([C:19]#[N:20])[cH:4][n:5][c:6]2[cH:7][c:8]([O:16][CH2:17][CH3:18])[c:9]([NH:12][C:13]([CH3:14])=[O:15])[cH:10][c:11]12참가 물질
6
출처 및 근거
- ORD 기록
- ord-2e794602365242ca96cae4c625da10db
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
연결된 노트
불러오는 중…