反応式
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH:9]([CH2:10][CH3:11])[CH3:12])[CH2:13][NH:14][c:15]1[cH:16][c:17]2[cH:18][cH:19][c:20]([Br:25])[cH:21][c:22]2[cH:23][cH:24]1)=[O:26].[CH3:47][O:48][CH2:49][CH2:50][O:51][CH3:52].[CH:27]1([B:30]2[O:31][C:32]([CH3:33])([CH3:34])[C:35]([CH3:36])([CH3:37])[O:38]2)[CH2:28][CH2:29]1.[K+:44].[K+:45].[K+:46].[OH2:53].[P:39]([O-:40])([O-:41])([O-:42])=[O:43]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH:9]([CH2:10][CH3:11])[CH3:12])[CH2:13][NH:14][c:15]1[cH:16][c:17]2[cH:18][cH:19][c:20]([CH:27]3[CH2:28][CH2:29]3)[cH:21][c:22]2[cH:23][cH:24]1)=[O:26]参加物
7
出典と根拠
- ORDレコード
- ord-78ceda11ff1a43e5b52f0f06ca57d631
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
関連ノート
読み込み中…