HRID2319665

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

HCID2734320

4-tert-Butylphenylboronic acid

C10H15BO2

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(C)(C)C)cc3)c1)N2

HCID67443785

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d2aa68b82ab849c58143483bfe67bd33
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:26]([CH3:27])([CH3:28])([CH3:29])[c:30]1[cH:31][cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]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.[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[Na+:39].[Na+:40].[O-:41][C:42](=[O:43])[O-:44].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]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:33]3[cH:32][cH:31][c:30]([C:26]([CH3:27])([CH3:28])[CH3:29])[cH:35][cH:34]3)[cH:19][c:20]([F:22])[cH:21]1)[C:10]([CH3:24])([CH3:25])[CH2:9]2