HRID2338689

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID947

Nitrogen

HCID1140

Toluene

C7H8

HCID19660

Carbonate Ion

CO3-2

HCID591073

4-Formylphenylboronic acid

C7H7BO3

HCID15450144

未命名化合物

PRODUCTS

产物

HCID11670622

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a1fbf9469e4e4d1891d7797c50c53082
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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