反応式
[B-:16]([F:17])([F:18])([F:19])[F:20].[CH3:38][CH:39]([CH2:40][CH:41]([NH2:42])[B:43]1[O:44][C:45]2([CH3:55])[CH:46]([O:47]1)[CH2:48][CH:49]1[C:50]([CH3:53])([CH3:54])[CH:51]2[CH2:52]1)[CH3:56].[CH3:73][N:74]([CH3:75])[CH:76]=[O:77].[CH:64]([N:65]([CH2:66][CH3:67])[CH:68]([CH3:69])[CH3:70])([CH3:71])[CH3:72].[F:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][C:8](=[O:9])[OH:10])[cH:11][cH:12][cH:13][c:14]1[F:15].[O-:57][C:58]([C:59]([F:60])([F:61])[F:62])=[O:63].[n:21]1([O:22][C:23]([N:24]([CH3:25])[CH3:26])=[N+:27]([CH3:28])[CH3:29])[c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2[n:36][n:37]1>>[F:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][C:8](=[O:10])[NH:42][CH:41]([CH2:40][CH:39]([CH3:38])[CH3:56])[B:43]2[O:44][C:45]3([CH3:55])[CH:46]([O:47]2)[CH2:48][CH:49]2[C:50]([CH3:53])([CH3:54])[CH:51]3[CH2:52]2)[cH:11][cH:12][cH:13][c:14]1[F:15]参加物
8
出典と根拠
- ORDレコード
- ord-ca9f9dd7b5414812a2b3db237b899a84
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
関連ノート
読み込み中…