반응식
[C:39]([CH2:40][CH2:41][CH3:42])(=[O:43])[Cl:44].[Cl:1][c:2]1[c:3]([N:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][CH2:18][O:19][c:20]3[cH:21][cH:22][c:23]4[c:28]([cH:29]3)[N:27]([CH2:30][OH:31])[C:26](=[O:32])[CH2:25][CH2:24]4)[CH2:13][CH2:14]2)[cH:4][cH:5][cH:6][c:7]1[Cl:8].[Cl:45][CH2:46][Cl:47].[cH:33]1[cH:34][cH:35][n:36][cH:37][cH:38]1>>[Cl:1][c:2]1[c:3]([N:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][CH2:18][O:19][c:20]3[cH:21][cH:22][c:23]4[c:28]([cH:29]3)[N:27]([CH2:30][O:31][C:39]([CH2:40][CH2:41][CH3:42])=[O:43])[C:26](=[O:32])[CH2:25][CH2:24]4)[CH2:13][CH2:14]2)[cH:4][cH:5][cH:6][c:7]1[Cl:8]참가 물질
5
출처 및 근거
- ORD 기록
- ord-311160c77b794b04a11becda1e4d38f0
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
연결된 노트
불러오는 중…