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[Br:20][N:21]1[C:22](=[O:23])[CH2:24][CH2:25][C:26]1=[O:27].[CH2:62]([Cl:63])[Cl:64].[CH:28]1([CH2:33][CH:34]([C:35](=[O:36])[OH:37])[c:38]2[cH:39][c:40]([Cl:45])[c:41]([Cl:44])[cH:42][cH:43]2)[CH2:29][CH2:30][CH2:31][CH2:32]1.[NH2:46][c:47]1[n:48][c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]2[nH:55]1.[OH2:65].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1.[cH:56]1[cH:57][cH:58][n:59][cH:60][cH:61]1>>[CH:28]1([CH2:33][CH:34]([C:35](=[O:37])[NH:46][c:47]2[nH:48][c:49]3[cH:50][cH:51][cH:52][cH:53][c:54]3[n:55]2)[c:38]2[cH:39][c:40]([Cl:45])[c:41]([Cl:44])[cH:42][cH:43]2)[CH2:29][CH2:30][CH2:31][CH2:32]1참가 물질
8
출처 및 근거
- ORD 기록
- ord-622e63162fd844fe9a2ba88b51253d2c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
연결된 노트
불러오는 중…