HRID1115615

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID28486

Lithium ion

Li+

结构：COC(=O)c1ccccc1-c1ccc(-c2onc(C)c2NC(=O)OC(C)c2ccccc2Cl)cc1

HCID67352582

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

C27H23ClN2O5

PRODUCTS

生成物

结构：Cc1noc(-c2ccc(-c3ccccc3C(=O)O)cc2)c1NC(=O)OC(C)c1ccccc1Cl

HCID46239908

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

C26H21ClN2O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b066a4672d274354b6f85cc20ff556c1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6](-[c:11]2[cH:12][cH:13][c:14](-[c:17]3[c:18]([NH:23][C:24](=[O:25])[O:26][CH:27]([CH3:28])[c:29]4[c:30]([Cl:35])[cH:31][cH:32][cH:33][cH:34]4)[c:19]([CH3:22])[n:20][o:21]3)[cH:15][cH:16]2)[cH:7][cH:8][cH:9][cH:10]1.[CH3:38][OH:39].[Li+:37].[OH-:36]>>[O:2]=[C:3]([OH:4])[c:5]1[c:6](-[c:11]2[cH:12][cH:13][c:14](-[c:17]3[c:18]([NH:23][C:24](=[O:25])[O:26][CH:27]([CH3:28])[c:29]4[c:30]([Cl:35])[cH:31][cH:32][cH:33][cH:34]4)[c:19]([CH3:22])[n:20][o:21]3)[cH:15][cH:16]2)[cH:7][cH:8][cH:9][cH:10]1