HRID2316943

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID13140

Acrylyl chloride

C3H3ClO

HCID22466570

未命名化合物

PRODUCTS

生成物

结构：C=CC(=O)Nc1ccc2ncc(C#N)c(Nc3ccc(F)c(F)c3)c2c1

HCID22466577

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c029faf120248cc9ffb033de84f9061
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:30]([CH:31]=[CH2:32])(=[O:33])[Cl:34].[C:35](=[O:36])([OH:37])[O-:38].[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[NH2:1][c:2]1[cH:3][c:4]2[c:5]([NH:14][c:15]3[cH:16][c:17]([F:22])[c:18]([F:21])[cH:19][cH:20]3)[c:6]([C:12]#[N:13])[cH:7][n:8][c:9]2[cH:10][cH:11]1.[Na+:39].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44]>>[NH:1]([c:2]1[cH:3][c:4]2[c:5]([NH:14][c:15]3[cH:16][c:17]([F:22])[c:18]([F:21])[cH:19][cH:20]3)[c:6]([C:12]#[N:13])[cH:7][n:8][c:9]2[cH:10][cH:11]1)[C:30]([CH:31]=[CH2:32])=[O:33]