HRID1549449

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

结构：COc1cnc2c(NCc3nnc4ccc(Cl)nn34)ccnc2c1

HCID44180710

未命名化合物

HCID57416230

1-[2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethan-1-ol

C14H20BClO3

PRODUCTS

生成物

结构：COc1cnc2c(NCc3nnc4ccc(-c5ccc(C(C)O)c(Cl)c5)nn34)ccnc2c1

HCID57691209

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ba9a8fea4944e9788e6e407c6be5cb8
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

[C:44](=[O:45])([O-:46])[O-:47].[Cl:1][c:2]1[c:3]([CH:17]([CH3:18])[OH:19])[cH:4][cH:5][c:6]([B:8]2[O:9][C:10]([CH3:11])([CH3:12])[C:13]([CH3:14])([CH3:15])[O:16]2)[cH:7]1.[Cl:20][c:21]1[cH:22][cH:23][c:24]2[n:25]([n:26]1)[c:27]([CH2:30][NH:31][c:32]1[cH:33][cH:34][n:35][c:36]3[cH:37][c:38]([O:42][CH3:43])[cH:39][n:40][c:41]13)[n:28][n:29]2.[Cs+:48].[Cs+:49].[O:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1.[OH2:56]>>[Cl:1][c:2]1[c:3]([CH:17]([CH3:18])[OH:19])[cH:4][cH:5][c:6](-[c:21]2[cH:22][cH:23][c:24]3[n:25]([n:26]2)[c:27]([CH2:30][NH:31][c:32]2[cH:33][cH:34][n:35][c:36]4[cH:37][c:38]([O:42][CH3:43])[cH:39][n:40][c:41]24)[n:28][n:29]3)[cH:7]1