HRID301215

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

结构：COC(=O)c1cccc([N+](=O)[O-])c1NC(=O)OC(C)(C)C

HCID9965968

Methyl 2-[(tert-butoxycarbonyl)amino]-3-nitrobenzoate

C13H16N2O6

HCID15219006

4'-(Bromomethyl)[1,1'-biphenyl]-2-carboxamide

C14H12BrNO

PRODUCTS

生成物

结构：COC(=O)c1cccc([N+](=O)[O-])c1N(Cc1ccc(-c2ccccc2C(N)=O)cc1)C(=O)OC(C)(C)C

HCID54203098

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23a2a90b9125466f8935420ab3d4fc1b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:22][CH2:23][c:24]1[cH:25][cH:26][c:27](-[c:30]2[c:31]([C:36](=[O:37])[NH2:38])[cH:32][cH:33][cH:34][cH:35]2)[cH:28][cH:29]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([C:11](=[O:12])[O:13][CH3:14])[cH:15][cH:16][cH:17][c:18]1[N+:19](=[O:20])[O-:21].[CH3:46][C:47]#[N:48].[K+:39].[K+:40].[O-:41][C:42]([O-:43])=[O:44].[OH2:45]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([c:9]1[c:10]([C:11](=[O:12])[O:13][CH3:14])[cH:15][cH:16][cH:17][c:18]1[N+:19](=[O:20])[O-:21])[CH2:23][c:24]1[cH:25][cH:26][c:27](-[c:30]2[c:31]([C:36](=[O:37])[NH2:38])[cH:32][cH:33][cH:34][cH:35]2)[cH:28][cH:29]1