HRID1133389

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5975

Cyanide

CN-

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID32051

Zinc (II) cation

Zn+2

结构：COCC(C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O

HCID49855272

未命名化合物

PRODUCTS

生成物

结构：COCC(C1CC1)n1cc(C#N)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O

HCID49855278

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de8c6761f5ab4e0984e8266cc3001cb2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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