HRID960015

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

HCID11000147

未命名化合物

结构：CC(C)(C)OC(=O)n1c(=O)[nH]c2cc(C#N)ccc21

HCID24900958

1,1-Dimethylethyl 5-cyano-2,3-dihydro-2-oxo-1H-benzimidazole-1-carboxylate

C13H13N3O3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C(c1ccccc1)n1c(=O)n(C(=O)OC(C)(C)C)c2ccc(C#N)cc21

HCID66755109

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50de48cc5c8148199c2529b4b8ab6d00
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

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