HRID302799

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID2734326

4-Cyanophenylboronic acid

C7H6BNO2

结构：CCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1cc(F)cc(Br)c1)N2

HCID67443771

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1cc(F)cc(-c3ccc(C#N)cc3)c1)N2

HCID67441327

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-467f6fa79ad043ac8edb807598d95c75
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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