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[CH3:31][O:32][c:33]1[c:34]([CH2:35][NH2:36])[cH:37][c:38]([O:41][CH3:42])[cH:39][cH:40]1.[c:1]1([CH:7]([CH:8]2[N:9]3[CH:10]([CH2:17][CH2:18][c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[CH2:11][CH:12]([C:13]2=[O:14])[CH2:15][CH2:16]3)[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([CH:8]2[N:9]3[CH:10]([CH2:17][CH2:18][c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[CH2:11][CH:12]([CH:13]2[NH:36][CH2:35][c:34]2[c:33]([O:32][CH3:31])[cH:40][cH:39][c:38]([O:41][CH3:42])[cH:37]2)[CH2:15][CH2:16]3)[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-0923b83dce944f20a6e044e1048c5f72
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
연결된 노트
불러오는 중…