HRID119653

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11470552

Ethyl 2-(3-bromophenyl)acetate

C10H11BrO2

结构：Cc1noc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c1NC(=O)OC(C)c1ccccc1Cl

HCID67350448

{3-Methyl-5-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-isoxazol-4-yl}-carbamic acid 1-(2-chloro-phenyl)-ethyl ester

C25H28BClN2O5

PRODUCTS

生成物

结构：CCOC(=O)Cc1cccc(-c2ccc(-c3onc(C)c3NC(=O)OC(C)c3ccccc3Cl)cc2)c1

HCID67351436

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c96068cc20a64872930630ce0b4b6b18
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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