HRID122737

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

HCID10014029

未命名化合物

HCID11159405

2-Cyclohexyl-1H-imidazole

C9H14N2

PRODUCTS

生成物

结构：COC(=O)c1cc([N+](=O)[O-])c(-n2ccnc2C2CCCCC2)cc1OC

HCID59198783

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-09130fdb79464bb2a50d445c0359b534
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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