HRID1538155

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID52987906

4-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine

C11H18BN3O2

结构：O=S(=O)(Nc1ccc(C(F)(F)F)cn1)c1cc(Br)ccc1Cl

HCID68725769

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(N)ncc1-c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C(F)(F)F)cn2)c1

HCID68723739

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a31c469ff384fbcad0229b8ac190c91
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[cH:3][cH:4][c:5]([Cl:22])[c:6]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[n:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[cH:7]1.[C:46](=[O:47])([O-:48])[O-:49].[CH3:23][O:24][CH2:25][CH2:26][O:27][CH3:28].[CH3:29][c:30]1[n:31][c:32]([NH2:45])[n:33][cH:34][c:35]1[B:36]1[O:37][C:38]([CH3:39])([CH3:40])[C:41]([CH3:42])([CH3:43])[O:44]1.[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[Na+:50].[Na+:51]>>[c:2]1(-[c:35]2[c:30]([CH3:29])[n:31][c:32]([NH2:45])[n:33][cH:34]2)[cH:3][cH:4][c:5]([Cl:22])[c:6]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[n:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[cH:7]1