HRID209526

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCOC(=O)C(C)(C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1

HCID21099801

未命名化合物

结构：Cc1noc(-c2ccc(Br)cc2)c1NC(=O)OC(C)c1ccccc1Cl

HCID67350786

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)c1ccc(-c2ccc(-c3onc(C)c3NC(=O)OC(C)c3ccccc3Cl)cc2)cc1

HCID67349875

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7b476fd98cac457780464e31b4342a4b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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