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[C:40]([O:41][BH-:42]([O:43][C:44](=[O:45])[CH3:46])[O:47][C:48](=[O:49])[CH3:50])(=[O:51])[CH3:52].[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]1.[CH3:54][CH2:55][N:56]([CH2:57][CH3:58])[CH2:59][CH3:60].[CH3:67][C:68](=[O:69])[OH:70].[ClH:1].[NH2:2][CH2:3][c:4]1[cH:5][n:6]([CH:23]([CH2:24][CH3:25])[CH2:26][CH3:27])[c:7]2[cH:8][c:9]([NH:16][CH:17]3[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]3)[c:10]([F:15])[cH:11][c:12]2[c:13]1=[O:14].[Na+:53].[O:28]=[C:29]([CH2:30][P:31]([O:32][CH2:33][CH3:34])([O:35][CH2:36][CH3:37])=[O:38])[CH3:39].[OH2:66]>>[NH:2]([CH2:3][c:4]1[cH:5][n:6]([CH:23]([CH2:24][CH3:25])[CH2:26][CH3:27])[c:7]2[cH:8][c:9]([NH:16][CH:17]3[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]3)[c:10]([F:15])[cH:11][c:12]2[c:13]1=[O:14])[CH:29]([CH2:30][P:31]([O:32][CH2:33][CH3:34])([O:35][CH2:36][CH3:37])=[O:38])[CH3:39]참가 물질
10
출처 및 근거
- ORD 기록
- ord-b2918354ac4148dba2ee97a178a4122a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
연결된 노트
불러오는 중…