Methanol → 5-(4-{1-Ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)-3-methyl-phenyl]-propyl}-2-methyl-benzyl)-thiazolidine-2,4-dione
반응식
[CH2:1]([CH3:2])[C:3]([CH2:4][CH3:5])([c:6]1[cH:7][c:8]([CH3:20])[c:9]([O:12][CH2:13][CH:14]([C:15]([CH3:16])([CH3:17])[CH3:18])[OH:19])[cH:10][cH:11]1)[c:21]1[cH:22][c:23]([CH3:35])[c:24]([CH:25]=[C:26]2[C:27](=[O:32])[NH:28][C:29](=[O:31])[S:30]2)[cH:33][cH:34]1.[CH3:36][OH:37]>>[CH2:1]([CH3:2])[C:3]([CH2:4][CH3:5])([c:6]1[cH:7][c:8]([CH3:20])[c:9]([O:12][CH2:13][CH:14]([C:15]([CH3:16])([CH3:17])[CH3:18])[OH:19])[cH:10][cH:11]1)[c:21]1[cH:22][c:23]([CH3:35])[c:24]([CH2:25][CH:26]2[C:27](=[O:32])[NH:28][C:29](=[O:31])[S:30]2)[cH:33][cH:34]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-f0b0222808734009a5edd96ef381fa11
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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