HRID93694

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID87754

2-Bromophenylacetic acid

C8H7BrO2

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：Cc1noc(-c2ccc(-c3ccccc3CC(=O)O)cc2)c1NC(=O)OC(C)c1ccccc1Cl

HCID46239907

(4'-{4-[1-(2-Chloro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-biphenyl-2-yl)-acetic acid

C27H23ClN2O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86f8271a9629401c90cefb4d5824b617
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

[Br:35][c:36]1[c:37]([CH2:42][C:43](=[O:44])[OH:45])[cH:38][cH:39][cH:40][cH:41]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]([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:36]3[c:37]([CH2:42][C:43](=[O:44])[OH:45])[cH:38][cH:39][cH:40][cH:41]3)[cH:22][cH:23]2)=[O:34])[cH:4][cH:5][cH:6][cH:7]1