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[CH3:25][n:26]1[c:27]([C:35](=[O:36])[OH:37])[cH:28][c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]12.[OH:1][C:2]([c:3]1[c:4]2[c:5]([cH:6][cH:7][cH:8][cH:9]2)[nH:10][cH:11]1)=[O:12].[c:38]1([C:39]([OH:40])=[O:41])[c:42]2[c:43]([cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50]1.[c:64]1([C:65]([OH:66])=[O:67])[c:68]2[c:76]([cH:77][cH:78][cH:79]1)-[c:71]1[c:70]([cH:75][cH:74][cH:73][cH:72]1)[CH2:69]2.[n:51]1[c:52]2[c:53]([cH:54][cH:55][cH:56][cH:57]2)[c:58]([C:59]([OH:60])=[O:61])[cH:62][cH:63]1.[nH:13]1[c:14]2[cH:15][cH:16][cH:17][c:18]([C:19]([OH:20])=[O:21])[c:22]2[cH:23][cH:24]1>>[nH:26]1[c:27]([C:35](=[O:36])[OH:37])[cH:28][c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]12참가 물질
7
출처 및 근거
- ORD 기록
- ord-44ab6ee0a00e485093e40760bf2479a0
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
연결된 노트
불러오는 중…