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[Br:30][c:31]1[n:32][c:33]([CH2:52][CH3:53])[c:34]([NH:39][CH:40]2[CH2:41][CH2:42][CH2:43][c:44]3[c:45]([O:50][CH3:51])[cH:46][cH:47][cH:48][c:49]32)[n:35][c:36]1[CH2:37][CH3:38].[Cl:1][c:2]1[c:3](-[c:9]2[n:10][c:11]([CH2:12][CH3:13])[c:14]([NH:15][CH:16]3[c:17]4[c:18]([cH:19][cH:20][cH:21][cH:22]4)[CH2:23][CH:24]3[OH:25])[n:26][c:27]2[CH2:28][CH3:29])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1>>[Cl:1][c:2]1[c:3](-[c:31]2[n:32][c:33]([CH2:52][CH3:53])[c:34]([NH:39][CH:40]3[CH2:41][CH2:42][CH2:43][c:44]4[c:45]([O:50][CH3:51])[cH:46][cH:47][cH:48][c:49]43)[n:35][c:36]2[CH2:37][CH3:38])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-93eebd5d68514423a22bbcc7d7264307
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
연결된 노트
불러오는 중…