HRID1212873

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID11534

Bromoacetonitrile

C2H2BrN

HCID19660

Carbonate

CO3-2

结构：Fc1ccc(C2CCNCC2COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

HCID73320158

未命名化合物

PRODUCTS

生成物

结构：N#CCN1CCC(c2ccc(F)cc2)C(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1

HCID87709434

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-18eb578ad5994e79bc52ff6545db2696
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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