HRID948946

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1501912

4'-Bromomethyl-2-cyanobiphenyl

C14H10BrN

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

HCID9965968

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

C13H16N2O6

HCID86594832

未命名化合物

PRODUCTS

生成物

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

HCID10874596

AGN-PC-0NC1NR

C27H25N3O6

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba504f14a1b946f799a56187354ea6a4
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:17][CH2:18][C:19]1([CH2:20][Br:21])[CH:22]=[CH:23][C:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]2[C:31]#[N:32])=[CH:33][CH2:34]1.[Br:1][CH2:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[c:10]([C:11]#[N:12])[cH:13][cH:14][cH:15][cH:16]2)[cH:7][cH:8]1.[C:35]([CH3:36])([CH3:37])([CH3:38])[O:39][C:40](=[O:41])[NH:42][c:43]1[c:44]([C:45](=[O:46])[O:47][CH3:48])[cH:49][cH:50][cH:51][c:52]1[N+:53](=[O:54])[O-:55]>>[CH2:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[c:10]([C:11]#[N:12])[cH:13][cH:14][cH:15][cH:16]2)[cH:7][cH:8]1)[N:42]([C:40]([O:39][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:41])[c:43]1[c:44]([C:45](=[O:46])[O:47][CH3:48])[cH:49][cH:50][cH:51][c:52]1[N+:53](=[O:54])[O-:55]