Acetone → N-[(cyclohexylamino)carbonyl]-3-[3-(4-phenoxy-2-propylphenoxy)propoxy]benzenesulfonamide
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[C:32](=[O:33])([O-:34])[O-:35].[CH3:47][C:48](=[O:49])[CH3:50].[K+:36].[K+:37].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][c:10]([CH2:29][CH2:30][CH3:31])[c:11]([O:12][CH2:13][CH2:14][CH2:15][O:16][c:17]2[cH:18][c:19]([S:23](=[O:24])(=[O:25])[NH2:26])[cH:20][cH:21][cH:22]2)[cH:27][cH:28]1.[O:38]=[C:39]=[N:40][CH:41]1[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][c:10]([CH2:29][CH2:30][CH3:31])[c:11]([O:12][CH2:13][CH2:14][CH2:15][O:16][c:17]2[cH:18][c:19]([S:23](=[O:24])(=[O:25])[NH:26][C:39](=[O:38])[NH:40][CH:41]3[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]3)[cH:20][cH:21][cH:22]2)[cH:27][cH:28]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-da9dec2b115648429a9da871c14e3280
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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