HRID1573603

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CCOC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1

HCID3816953

Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate

C14H20BNO4

HCID59208332

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)Nc1cc(-c2cncc(F)c2)c(-c2cncc(C(=O)OCC)c2)cn1

HCID59208334

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-14c5ea39ac1e4dd1a1a9ad6aa2718551
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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