반응식
[CH2:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[N:27]1[CH2:28][CH:29]2[CH2:30][NH:31][CH2:32][CH:33]2[CH2:34]1.[CH2:36]([OH:37])[CH2:38][CH2:39][CH2:40][CH3:41].[Cl:1][c:2]1[c:3]([CH3:19])[c:4]([CH3:18])[c:5]2[n:6]([n:7]1)[cH:8][c:9](-[c:11]1[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]1)[n:10]2.[ClH:35]>>[c:2]1([N:31]2[CH2:30][CH:29]3[CH2:28][N:27]([CH2:20][c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)[CH2:34][CH:33]3[CH2:32]2)[c:3]([CH3:19])[c:4]([CH3:18])[c:5]2[n:6]([n:7]1)[cH:8][c:9](-[c:11]1[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]1)[n:10]2참가 물질
5
출처 및 근거
- ORD 기록
- ord-37748b8744314938b1fad0fd283a02d7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
연결된 노트
불러오는 중…