HRID285439

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1ccc(CC(Nc2cccc(-c3ccccc3)c2)C(=O)O)cc1

HCID22336948

未命名化合物

结构：CC(C)CC(NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)B1OC2CC3CC(C3(C)C)C2(C)O1

HCID178446570

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CC(Nc2cccc(-c3ccccc3)c2)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)B2OC3CC4CC(C4(C)C)C3(C)O2)cc1

HCID178490279

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e2a5bc972714c969e931dc43b7d5815
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([O:2][C:6]([NH:7][CH:8]([CH2:9][CH:10]([CH3:11])[CH3:12])[C:13]([NH:14][CH:15]([CH2:16][CH:17]([CH3:18])[CH3:19])[B:20]1[O:21][C:22]2([CH3:32])[CH:23]3[C:24]([CH3:30])([CH3:31])[CH:25]([CH2:26][CH:27]2[O:28]1)[CH2:29]3)=[O:33])=[O:34])([CH3:3])([CH3:4])[CH3:5].[c:35]1(-[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:36][c:37]([NH:41][CH:42]([C:43]([OH:44])=[O:45])[CH2:46][c:47]2[cH:48][cH:49][c:50]([O:53][CH3:54])[cH:51][cH:52]2)[cH:38][cH:39][cH:40]1>>[C:6]([NH:7][CH:8]([CH2:9][CH:10]([CH3:11])[CH3:12])[C:13]([NH:14][CH:15]([CH2:16][CH:17]([CH3:18])[CH3:19])[B:20]1[O:21][C:22]2([CH3:32])[CH:23]3[C:24]([CH3:30])([CH3:31])[CH:25]([CH2:26][CH:27]2[O:28]1)[CH2:29]3)=[O:33])(=[O:34])[CH:42]([NH:41][c:37]1[cH:36][c:35](-[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:40][cH:39][cH:38]1)[CH2:46][c:47]1[cH:48][cH:49][c:50]([O:53][CH3:54])[cH:51][cH:52]1