HRID2319328

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

HCID7842

Propargyl bromide

C3H3Br

HCID19660

Carbonate

CO3-2

结构：Cc1ccc(CC2CNCCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C

HCID18703556

未命名化合物

PRODUCTS

生成物

结构：C#CCN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(Cc2ccc(C)c(C)c2)C1

HCID178456363

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a65a28f85d634e158d0880153e94daa8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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