HRID1564159

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID277

Carbamic acid

CH3NO2

HCID944

Nitric Acid

HNO3

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID9845

Trifluoroacetic anhydride

C4F6O3

HCID20772337

未命名化合物

PRODUCTS

生成物

结构：COC(=O)NC1Cc2ccc([N+](=O)[O-])cc2C1OC(C)=O

HCID20772336

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91c6627f81094464b98390b5355ad892
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:43](=[O:44])([OH:45])[NH2:46].[CH2:47]([Cl:48])[Cl:49].[CH3:25][O:26][C:27]([NH:28][CH:29]1[CH:30]([O:38][C:39]([CH3:40])=[O:41])[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]2[CH2:37]1)=[O:42].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[F:12][C:13]([F:14])([F:15])[C:16]([O:17][C:18](=[O:19])[C:20]([F:21])([F:22])[F:23])=[O:24].[OH2:56].[OH:1][N+:2]([O-:3])=[O:4].[OH:5][C:6]([C:7]([F:8])([F:9])[F:10])=[O:11]>>[O-:1][N+:2](=[O:4])[c:33]1[cH:32][c:31]2[c:36]([cH:35][cH:34]1)[CH2:37][CH:29]([NH:28][C:27]([O:26][CH3:25])=[O:42])[CH:30]2[O:38][C:39]([CH3:40])=[O:41]