HRID285699

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

HCID13891

2-Chloro-1,4-naphthoquinone

C10H5ClO2

HCID31347

Sulfolane

C4H8O2S

HCID104755

Silver ion (1+)

Ag+

HCID107879

[(Sulfonatoperoxy)sulfonyl]oxidanide

O8S2-2

HCID736153

4-Methoxycyclohexanecarboxylic acid

C8H14O3

PRODUCTS

生成物

结构：COC1CCC(C2=C(Cl)C(=O)c3ccccc3C2=O)CC1

HCID19804860

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e667d6ec80f47589d7eb8a6623bc68a
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

[Ag+:52].[CH3:14][O:15][CH:16]1[CH2:17][CH2:18][CH:19]([C:22]([OH:23])=[O:24])[CH2:20][CH2:21]1.[CH3:44][C:45]#[N:46].[Cl:1][C:2]1=[CH:3][C:4](=[O:5])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]2[C:12]1=[O:13].[N+:48]([O-:49])([O-:50])=[O:51].[NH4+:42].[NH4+:43].[OH2:47].[S:25]1(=[O:30])(=[O:31])[CH2:26][CH2:27][CH2:28][CH2:29]1.[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=[C:3]([CH:19]2[CH2:18][CH2:17][CH:16]([O:15][CH3:14])[CH2:21][CH2:20]2)[C:4](=[O:5])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]2[C:12]1=[O:13]