HRID174950

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

2 次

HCID943

Nitrate

NO3-

HCID6342

Acetonitrile

C2H3N

HCID8342

Dichlone

C10H4Cl2O2

HCID104755

Silver ion (1+)

Ag+

HCID107879

[(Sulfonatoperoxy)sulfonyl]oxidanide

O8S2-2

HCID2735792

4-(4-Chlorophenyl)cyclohexanecarboxylic acid

C13H15ClO2

PRODUCTS

生成物

结构：O=C1C(Cl)=C(C2CCC(c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21

HCID11101070

2-Chloro-3-[4-(4-chlorophenyl)cyclohexyl]naphthalene-1,4-dione

C22H18Cl2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-057e9f31d6cf47e9936aadcb398d042e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Ag+:50].[CH3:43][C:44]#[N:45].[Cl:15][c:16]1[cH:17][cH:18][c:19]([CH:22]2[CH2:23][CH2:24][CH:25]([C:28]([OH:29])=[O:30])[CH2:26][CH2:27]2)[cH:20][cH:21]1.[Cl:1][C:2]1=[C:11]([Cl:12])[C:10](=[O:13])[c:9]2[c:4]([cH:5][cH:6][cH:7][cH:8]2)[C:3]1=[O:14].[N+:46]([O-:47])([O-:48])=[O:49].[NH4+:41].[NH4+:42].[S:31]([O:32][O:33][S:34]([O-:35])(=[O:36])=[O:37])([O-:38])(=[O:39])=[O:40]>>[C:2]1([CH:25]2[CH2:24][CH2:23][CH:22]([c:19]3[cH:18][cH:17][c:16]([Cl:15])[cH:21][cH:20]3)[CH2:27][CH2:26]2)=[C:11]([Cl:12])[C:10](=[O:13])[c:9]2[c:4]([cH:5][cH:6][cH:7][cH:8]2)[C:3]1=[O:14]