Sodium Ion → 3-(Methylthio)benzoic Acid
반응식
[CH3:1][S:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][cH:8]1)[CH:9]=[N:10][CH2:11][CH2:12]2.[CH3:30][O:31][S:32]([O:33][CH3:34])(=[O:35])=[O:36].[NH2:13][c:14]1[cH:15][c:16]([C:17](=[O:18])[OH:19])[cH:20][cH:21][cH:22]1.[Na+:29].[O:23]([CH2:24][CH3:25])[C:26]([S-:27])=[S:28]>>[CH3:1][S:2][c:14]1[cH:15][c:16]([C:17](=[O:18])[OH:19])[cH:20][cH:21][cH:22]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-49427d4198604b92be76b0311945a377
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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