HRID99645

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID923

Sodium ion

Na+

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID8471

Triethylamine

C6H15N

HCID95117

Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde

C8H10O

HCID2724942

未命名化合物

HCID2760441

3-(Piperazin-1-yl)pyrazine-2-carbonitrile

C9H11N5

PRODUCTS

产物

HCID11543895

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-35fe2f81266e450383f248c7722dc3a9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[C:31]([O:32][BH-:33]([O:34][C:35](=[O:36])[CH3:37])[O:38][C:39](=[O:40])[CH3:41])(=[O:42])[CH3:43].[CH3:15][CH2:16][N:17]([CH2:18][CH3:19])[CH2:20][CH3:21].[CH:22]12[CH:23]([CH:29]=[O:30])[CH2:24][CH:25]([CH:26]=[CH:27]1)[CH2:28]2.[Cl:52][CH2:53][CH2:54][Cl:55].[F:45][C:46]([F:47])([F:48])[C:49]([OH:50])=[O:51].[N:1]1([c:7]2[n:8][cH:9][cH:10][n:11][c:12]2[C:13]#[N:14])[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[Na+:44]>>[N:1]1([c:7]2[n:8][cH:9][cH:10][n:11][c:12]2[C:13]#[N:14])[CH2:2][CH2:3][N:4]([CH2:29][CH:23]2[CH:22]3[CH:27]=[CH:26][CH:25]([CH2:24]2)[CH2:28]3)[CH2:5][CH2:6]1