HRID290040

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID888

Magnesium cation

Mg+2

HCID1117

Sulfate

O4S-2

HCID6344

Dichloromethane

CH2Cl2

HCID7894

3-Methyl-1-butanamine

C5H13N

HCID8010

Malononitrile

C3H2N2

HCID8471

Triethylamine

C6H15N

HCID30856

Mercuric oxide

HgO

HCID2733395

3,5-Bis(trifluoromethyl)phenyl isothiocyanate

C9H3F6NS

PRODUCTS

生成物

结构：CC(C)CCNC(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)=C(C#N)C#N

HCID21848467

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad6f8b9e1e8045cdaf7820af51b110f4
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

[CH3:23][CH:24]([CH2:25][CH2:26][NH2:27])[CH3:28].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[Cl:35][CH2:36][Cl:37].[F:6][C:7]([c:8]1[cH:9][c:10]([N:18]=[C:19]=[S:20])[cH:11][c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]1)([F:21])[F:22].[Hg:38]=[O:39].[Mg+2:29].[N:1]#[C:2][CH2:3][C:4]#[N:5].[O-:30][S:31](=[O:32])(=[O:33])[O-:34]>>[N:1]#[C:2][C:3]([C:4]#[N:5])=[C:19]([NH:18][c:10]1[cH:9][c:8]([C:7]([F:6])([F:21])[F:22])[cH:13][c:12]([C:14]([F:15])([F:16])[F:17])[cH:11]1)[NH:27][CH2:26][CH2:25][CH:24]([CH3:23])[CH3:28]