HRID213060

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

结构：CCOC(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C#N)c(CC)n1C

HCID57974802

未命名化合物

HCID57975225

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(-c2ccc(N(C)CCNS(=O)(=O)C(C)C)cc2)c(C#N)c(CC)n1C

HCID57974960

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6b627f5bf7246c2af7b77161b506bd0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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