Methanesulfonic Acid → HCID 10297662, 화합물
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[C:1]([C:2]([CH3:3])([CH3:4])[CH3:5])(=[O:6])[Cl:7].[CH3:35][S:36](=[O:37])(=[O:38])[OH:39].[CH3:8][c:9]1[cH:10][c:11]([CH:17]2[C:18](=[O:34])[O:19][c:20]3[c:21]2[cH:22][c:23]([C:30]([CH3:31])([CH3:32])[CH3:33])[cH:24][c:25]3[C:26]([CH3:27])([CH3:28])[CH3:29])[cH:12][c:13]([CH3:16])[c:14]1[OH:15].[c:40]1([CH3:41])[c:42]([CH3:43])[cH:44][cH:45][cH:46][cH:47]1>>[C:1]([C:2]([CH3:3])([CH3:4])[CH3:5])(=[O:6])[O:15][c:14]1[c:9]([CH3:8])[cH:10][c:11]([CH:17]2[C:18](=[O:34])[O:19][c:20]3[c:21]2[cH:22][c:23]([C:30]([CH3:31])([CH3:32])[CH3:33])[cH:24][c:25]3[C:26]([CH3:27])([CH3:28])[CH3:29])[cH:12][c:13]1[CH3:16]참가 물질
5
출처 및 근거
- ORD 기록
- ord-bca06440514a474f8ad76dfabcba31b9
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
- DOI