HRID159072

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

结构：CCNC(=O)Nc1cc(-c2nc(-c3ccccc3)cs2)c(Br)cn1

HCID59208504

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)Nc1cc(-c2nc(-c3ccccc3)cs2)c(-c2cncc(C(=O)OCC)c2)cn1

HCID59208481

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad01be365c834a7e97d5551c468cd979
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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