HRID303834

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：CCCCC(Cc1ccc(OCCNC(=O)c2ccc(-c3cc(C)c(OCOC)c(C)c3)cc2)cc1)C(=O)OCC

HCID18625993

未命名化合物

PRODUCTS

生成物

结构：CCCCC(Cc1ccc(OCCNC(=O)c2ccc(-c3cc(C)c(OCOC)c(C)c3)cc2)cc1)C(=O)O

HCID18626013

2-Butyl-3-[4-[2-(4'-methoxymethoxy-3',5'-dimethylbiphenyl-4-carbonylamino)ethoxy]phenyl]propionic acid

C32H39NO6

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-674e1461d9de4a129c1bb7d8b5534176
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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