HRID2310837

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

9 次

HCID176

Acetic Acid

C2H4O2

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

10 次

HCID27854

Manganese (Mn2+)

Mn+2

HCID32884

1,2-Dimethyl-3-chlorobenzene

C8H9Cl

HCID32886

4-Chloro-o-xylene

C8H9Cl

HCID96254

3-Chlorobenzene-1,2-dicarboxylic acid

C8H5ClO4

HCID104729

Cobaltous cation

Co+2

HCID115139

Zirconium cation (4+)

Zr+4

PRODUCTS

生成物

HCID67014

3-Chlorophthalic anhydride

C8H3ClO3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c164b0dde494f5488ae371982adbf98
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br-:25].[C:44]([O-:45])(=[O:46])[CH3:47].[C:49]([O-:50])(=[O:51])[CH3:52].[C:57]([O-:58])(=[O:59])[CH3:60].[C:62]([O-:63])(=[O:64])[CH3:65].[C:66]([O-:67])(=[O:68])[CH3:69].[C:71]([O-:72])(=[O:73])[CH3:74].[C:75]([O-:76])(=[O:77])[CH3:78].[C:79]([O-:80])(=[O:81])[CH3:82].[CH3:20][C:21](=[O:22])[O-:23].[CH3:84][C:85](=[O:86])[OH:87].[Cl:10][c:11]1[cH:12][c:13]([CH3:14])[c:15]([CH3:16])[cH:17][cH:18]1.[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]([CH3:7])[c:8]1[CH3:9].[Cl:27][c:28]1[c:29]([C:37](=[O:38])[OH:39])[c:30]([C:31](=[O:32])[OH:33])[cH:34][cH:35][cH:36]1.[Co+2:48].[Mn+2:61].[Na+:19].[Na+:24].[O:26].[OH2:40].[OH2:41].[OH2:42].[OH2:43].[OH2:53].[OH2:54].[OH2:55].[OH2:56].[OH2:83].[Zr+4:70]>>[Cl:27][c:28]1[c:29]2[c:30]([cH:34][cH:35][cH:36]1)[C:31](=[O:33])[O:39][C:37]2=[O:38]