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[CH2:53]1[CH2:54][NH:55][CH2:56][CH2:57][NH:58]1.[CH2:68]1[O:69][CH2:70][CH2:71][CH2:72]1.[CH3:47][C:48]([CH3:49])([O-:50])[CH3:51].[Cl:59][c:60]1[c:61]([Br:67])[cH:62][cH:63][c:64]([Cl:66])[cH:65]1.[Na+:52].[cH:1]1[cH:2][cH:3][c:4]([P:5]([c:6]2[cH:7][cH:8][c:9]3[c:10]([cH:11][cH:12][cH:13][cH:14]3)[c:15]2-[c:16]2[c:17]3[c:18]([cH:19][cH:20][cH:21][cH:22]3)[cH:23][cH:24][c:25]2[P:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:45][cH:46]1>>[CH2:53]1[CH2:54][N:55]([c:61]2[c:60]([Cl:59])[cH:65][c:64]([Cl:66])[cH:63][cH:62]2)[CH2:56][CH2:57][NH:58]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-21e605a5c00b4fb48564a82ce8719149
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
연결된 노트
불러오는 중…