HRID2155209

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID817154

5-Bromo-2-Cyanopyridine

C6H3BrN2

结构：CC(C)(C)OC(=O)N1CCCCC1C(=O)NC(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(N)=O

HCID76700719

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCCC1C(=O)NC(Cc1ccc(-c2ccc(C#N)nc2)cc1)C(N)=O

HCID76700702

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f108f3f999a4ccdab6adf1aa29d1366
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:37][c:38]1[cH:39][cH:40][c:41]([C:44]#[N:45])[n:42][cH:43]1.[C:46](=[O:47])([O-:48])[O-:49].[K+:50].[K+:51].[NH2:1][C:2]([CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8]([B:11]2[O:12][C:13]([CH3:14])([CH3:15])[C:16]([CH3:17])([CH3:18])[O:19]2)[cH:9][cH:10]1)[NH:20][C:21](=[O:22])[CH:23]1[N:24]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:25][CH2:26][CH2:27][CH2:28]1)=[O:36].[O:52]1[CH2:53][CH2:54][O:55][CH2:56][CH2:57]1.[OH2:58]>>[NH2:1][C:2]([CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:38]2[cH:39][cH:40][c:41]([C:44]#[N:45])[n:42][cH:43]2)[cH:9][cH:10]1)[NH:20][C:21](=[O:22])[CH:23]1[N:24]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:25][CH2:26][CH2:27][CH2:28]1)=[O:36]