HRID88222

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID22259898

未命名化合物

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

PRODUCTS

生成物

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

HCID69020215

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74d3c1c211634a069986f1c6bf7f789b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[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.[CH2:42]([Cl:43])[Cl:44].[I:25][c:26]1[cH:27][cH:28][c:29]([CH:32]([CH2:33][NH:34][S:35](=[O:36])(=[O:37])[CH:38]([CH3:39])[CH3:40])[CH3:41])[cH:30][cH:31]1.[Na+:45].[Na+:46].[O-:47][C:48](=[O:49])[O-:50].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH2:56]>>[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]([CH:32]([CH2:33][NH:34][S:35](=[O:36])(=[O:37])[CH:38]([CH3:39])[CH3:40])[CH3:41])[cH:30][cH:31]1