Hydrochloric Acid → 1-[2-methyl-3-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]propanoyl]pyrrolidine-2-carboxylic acid
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[C:16](=[O:17])([OH:18])[O-:19].[CH2:34]([C:35]([CH3:36])=[O:37])[CH3:38].[Cl:21][c:22]1[cH:23][cH:24][c:25]([N+:31](=[O:32])[O-:33])[c:26]2[c:27]1[n:28][o:29][n:30]2.[ClH:15].[Na+:20].[OH2:39].[SH:1][CH2:2][CH:3]([C:4](=[O:5])[N:6]1[CH:7]([C:8](=[O:9])[OH:10])[CH2:11][CH2:12][CH2:13]1)[CH3:14]>>[S:1]([CH2:2][CH:3]([C:4](=[O:5])[N:6]1[CH:7]([C:8](=[O:9])[OH:10])[CH2:11][CH2:12][CH2:13]1)[CH3:14])[c:22]1[cH:23][cH:24][c:25]([N+:31](=[O:32])[O-:33])[c:26]2[c:27]1[n:28][o:29][n:30]2참가 물질
8
출처 및 근거
- ORD 기록
- ord-020c353042d34dd58dd750d07c9dc99d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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