HRID125562

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1892

Etofylline

C9H12N4O3

HCID2797

Clofibric acid

C10H11ClO3

HCID7237

o-Xylene

C8H10

PRODUCTS

生成物

结构：Cn1c(=O)c2c(ncn2CCOC(=O)C(C)(C)Oc2ccc(Cl)cc2)n(C)c1=O

HCID41109

Etofylline clofibrate

C19H21ClN4O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc77ce24195747019b0436026572bb36
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

[C:32](=[O:33])([OH:34])[O-:35].[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:6][C:7]([C:8](=[O:9])[OH:10])([CH3:11])[CH3:12])[cH:13][cH:14]1.[Na+:36].[OH2:31].[OH:15][CH2:16][CH2:17][n:18]1[cH:19][n:20][c:21]2[n:22]([CH3:30])[c:23](=[O:29])[n:24]([CH3:25])[c:26](=[O:28])[c:27]12.[c:37]1([CH3:38])[c:39]([CH3:40])[cH:41][cH:42][cH:43][cH:44]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:6][C:7]([C:8](=[O:9])[O:10][CH2:16][CH2:17][n:18]2[cH:19][n:20][c:21]3[n:22]([CH3:30])[c:23](=[O:29])[n:24]([CH3:25])[c:26](=[O:28])[c:27]23)([CH3:11])[CH3:12])[cH:13][cH:14]1