HRID680418

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

2 次

HCID943

Nitrate

NO3-

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8530

1,4-Naphthoquinone

C10H6O2

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=C(C2CCC(c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21

HCID25164413

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-633a568b086943f9957bbb3cc265594a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Ag+:49].[CH3:17][C:18]#[N:19].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[CH2:9][CH2:10][CH:11]([C:14]([OH:15])=[O:16])[CH2:12][CH2:13]2)[cH:6][cH:7]1.[N+:45]([O-:46])([O-:47])=[O:48].[NH4+:42].[NH4+:43].[O:20]=[C:21]1[CH:22]=[CH:23][C:24](=[O:25])[c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]21.[OH2:44].[S:32]([O:33][O:34][S:35]([O-:36])(=[O:37])=[O:38])([O-:39])(=[O:40])=[O:41]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[CH2:9][CH2:10][CH:11]([C:14]3=[CH:22][C:21](=[O:20])[c:31]4[c:26]([cH:27][cH:28][cH:29][cH:30]4)[C:24]3=[O:25])[CH2:12][CH2:13]2)[cH:6][cH:7]1