HRID691843

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(C)NC(=O)OC(C)(C)C)B1OC2CC3CC(C3(C)C)C2(C)O1

HCID178446593

未命名化合物

PRODUCTS

生成物

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

HCID178490281

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a8e65f76a84a4aa5ba358833c37b0ac8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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