反応式
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([OH:15])[c:7]([C:11]([CH3:12])([CH3:13])[CH3:14])[cH:8][cH:9][cH:10]1.[CH3:16][CH:17]([OH:18])[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1.[CH3:25][C:26](=[O:27])[OH:28].[CH:29]([OH:30])=[O:31]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([OH:15])[c:7]([C:11]([CH3:12])([CH3:13])[CH3:14])[cH:8][c:9]([CH:17]([CH3:16])[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:10]1参加物
5
出典と根拠
- ORDレコード
- ord-693882259adb455d942abae57a1d7f7f
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
関連ノート
読み込み中…