Toluene → HCID 18367319, 화합물
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[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[NH2:1][CH:2]1[CH2:3][CH2:4][c:5]2[c:6]([O:11][CH3:12])[cH:7][cH:8][cH:9][c:10]21.[OH:13][CH2:14][CH2:15][CH2:16][C:17](=[O:18])[c:19]1[o:20][c:21](-[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:22](-[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[n:23]1.[c:36]1([CH3:37])[cH:38][cH:39][c:40]([S:41]([OH:42])(=[O:43])=[O:44])[cH:45][cH:46]1>>[NH:1]([CH:2]1[CH2:3][CH2:4][c:5]2[c:6]([O:11][CH3:12])[cH:7][cH:8][cH:9][c:10]21)[CH:17]([CH2:16][CH2:15][CH2:14][OH:13])[c:19]1[o:20][c:21](-[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:22](-[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[n:23]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-23c8863e11284baf9b5190ebf28d15bf
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)