HRID142339

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID1084

Thiosulfate(2-)

O3S2-2

HCID1140

Toluene

C7H8

HCID24841

Hydrogen iodide

HCID74057

Disilane, hexamethyl-

C6H18Si2

结构：C=CCOC1CN(C(=O)OCC)CCC1NC(=O)c1[nH]c(C)c(Cl)c1C#N

HCID72274450

未命名化合物

PRODUCTS

生成物

结构：C=CCOC1CNCCC1NC(=O)c1[nH]c(C)c(Cl)c1C#N

HCID178458776

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-387b5351fa9e46b2a13f2fe4eed7f75f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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