HRID2126734

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID312

Chloride

Cl-

10 次

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6395

Methanesulfonic acid

CH4O3S

HCID7239

1,2-Dichlorobenzene

C6H4Cl2

HCID15123

1-Propene, 3-isocyanato-

C4H5NO

HCID31275

1,4-Dioxane

C4H8O2

HCID32051

Zinc (II) cation

Zn+2

HCID84564

Bis(trimethylsilyl)acetylene

C8H18Si2

HCID104727

Aluminum Cation

Al+3

HCID114942

Titanium(4+)

Ti+4

PRODUCTS

生成物

HCID11217610

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dca1dbd69a3647199d6f406807a2474d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Al+3:18].[C:28](=[O:29])([OH:30])[O-:31].[CH2:11]([CH:12]=[CH2:13])[N:14]=[C:15]=[O:16].[CH3:1][Si:2]([CH3:3])([CH3:4])[C:5]#[C:6][Si:7]([CH3:8])([CH3:9])[CH3:10].[CH3:22][S:23](=[O:24])(=[O:25])[OH:26].[Cl-:17].[Cl-:19].[Cl-:20].[Cl-:21].[Cl-:39].[Cl-:40].[Cl-:41].[Cl-:42].[Cl-:44].[Cl-:46].[Cl:48][CH2:49][Cl:50].[Cl:51][c:52]1[cH:53][cH:54][cH:55][cH:56][c:57]1[Cl:58].[Cl:59][CH2:60][CH2:61][Cl:62].[ClH:27].[Na+:32].[O:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1.[OH2:47].[Ti+4:43].[Zn+2:45]>>[CH3:1][Si:2]([CH3:3])([CH3:4])[C:5]#[C:6][C:15]([NH:14][CH2:11][CH:12]=[CH2:13])=[O:16]