Hexane → HCID 10113742、化合物
反応式
[C:39]([O:40][CH2:41][CH3:42])(=[O:43])[CH3:44].[CH3:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH:10]2[C:11]([CH3:23])([CH3:24])[O:12][c:13]3[c:14]2[c:15]([CH3:22])[c:16]([NH2:21])[c:17]([CH3:20])[c:18]3[CH3:19])[cH:8][cH:9]1.[s:25]1[c:26]([C:30](=[O:31])[Cl:32])[cH:27][cH:28][cH:29]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH:10]2[C:11]([CH3:23])([CH3:24])[O:12][c:13]3[c:14]2[c:15]([CH3:22])[c:16]([NH:21][C:30]([c:26]2[s:25][cH:29][cH:28][cH:27]2)=[O:31])[c:17]([CH3:20])[c:18]3[CH3:19])[cH:8][cH:9]1参加物
5
出典と根拠
- ORDレコード
- ord-903073ada02d4973b170b6a570472121
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)