HRID948385

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID144267

4-Bromo-2-methylbenzonitrile

C8H6BrN

结构：CC(C)(C)OC(=O)NC1(C(=O)NC(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C(N)=O)CCOCC1

HCID66645178

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2ccc(CC(NC(=O)C3(NC(=O)OC(C)(C)C)CCOCC3)C(N)=O)cc2)ccc1C#N

HCID68429468

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae009af4507643808fc432fe879116e4
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:38][c:39]1[cH:40][c:41]([CH3:47])[c:42]([C:43]#[N:44])[cH:45][cH:46]1.[CH3:54][C:55]#[N:56].[NH2:1][C:2]([CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8]([B:11]2[O:12][C:13]([CH3:14])([CH3:15])[C:16]([CH3:17])([CH3:18])[O:19]2)[cH:9][cH:10]1)[NH:20][C:21](=[O:22])[C:23]1([NH:29][C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[CH2:24][CH2:25][O:26][CH2:27][CH2:28]1)=[O:37].[Na+:48].[Na+:49].[O-:50][C:51](=[O:52])[O-:53]>>[NH2:1][C:2]([CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:39]2[cH:40][c:41]([CH3:47])[c:42]([C:43]#[N:44])[cH:45][cH:46]2)[cH:9][cH:10]1)[NH:20][C:21](=[O:22])[C:23]1([NH:29][C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[CH2:24][CH2:25][O:26][CH2:27][CH2:28]1)=[O:37]