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[Br:22][c:23]1[n:24][c:25]([CH3:38])[c:26](-[c:30]2[c:31]([Cl:37])[cH:32][c:33]([Cl:36])[cH:34][cH:35]2)[n:27][c:28]1[CH3:29].[CH2:1]([c:2]1[c:3]([NH:4][CH:5]2[c:6]3[c:7]([cH:8][cH:9][cH:10][cH:11]3)[CH2:12][CH:13]2[OH:14])[n:15][c:16]([CH2:17][CH3:18])[cH:19][n:20]1)[CH3:21].[c:39]1([NH2:49])[n:40][cH:41][cH:42][c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]12>>[c:23]1([NH:49][c:39]2[n:40][cH:41][cH:42][c:43]3[cH:44][cH:45][cH:46][cH:47][c:48]23)[n:24][c:25]([CH3:38])[c:26](-[c:30]2[c:31]([Cl:37])[cH:32][c:33]([Cl:36])[cH:34][cH:35]2)[n:27][c:28]1[CH3:29]참가 물질
4
출처 및 근거
- ORD 기록
- ord-d435d66cd9154b609bf8e792a091ea14
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
연결된 노트
불러오는 중…