HRID134505

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID107299

Propanenitrile, 2,3-dibromo-

C3H3Br2N

结构：Fc1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccc(F)cc2)cc1

HCID14849768

未命名化合物

PRODUCTS

生成物

结构：N#CC=Cn1c(C(F)(F)F)nc(-c2ccc(F)cc2)c1-c1ccc(F)cc1

HCID54558691

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a278969cda34228ad5db5bba0e8f93a
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

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