Hydrochloric Acid → 3-[5-Methyl-3-(2-(N-methyl-N-(4-carboxyphenyl)aminosulfonyl)phenylsulfonyloxy) Phenoxy]propoxyguanidine
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[C:43]([C:44](=[CH:45][c:46]1[cH:47][cH:48][c:49]([OH:50])[cH:51][cH:52]1)[C:53]([OH:54])=[O:55])#[N:56].[CH3:2][c:3]1[cH:4][c:5]([O:18][S:19](=[O:20])(=[O:21])[c:22]2[c:23]([S:28](=[O:29])(=[O:30])[N:31]([c:32]3[cH:33][cH:34][c:35]([C:38](=[O:39])[O:40][CH3:41])[cH:36][cH:37]3)[CH3:42])[cH:24][cH:25][cH:26][cH:27]2)[cH:6][c:7]([O:8][CH2:9][CH2:10][CH2:11][O:12][NH:13][C:14](=[NH:15])[NH2:16])[cH:17]1.[ClH:1]>>[CH3:2][c:3]1[cH:4][c:5]([O:18][S:19](=[O:20])(=[O:21])[c:22]2[c:23]([S:28](=[O:29])(=[O:30])[N:31]([c:32]3[cH:33][cH:34][c:35]([C:38](=[O:39])[OH:40])[cH:36][cH:37]3)[CH3:42])[cH:24][cH:25][cH:26][cH:27]2)[cH:6][c:7]([O:8][CH2:9][CH2:10][CH2:11][O:12][NH:13][C:14](=[NH:15])[NH2:16])[cH:17]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-44ef341b556e42168fbc87be4515d4b6
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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