HRID147701

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6569

Methyl ethyl ketone

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID28486

Lithium ion

Li+

HCID30165

Iodide ion

I-

HCID104967

Cesium(1+)

Cs+

2 次

HCID279800

Di-tert-butyl Iminodicarboxylate

C10H19NO4

HCID13399988

Methyl 5-(bromomethyl)-2-nitrobenzoate

C9H8BrNO4

PRODUCTS

生成物

结构：COC(=O)c1cc(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ccc1[N+](=O)[O-]

HCID68729782

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4024f24ba494850a6e65cc297e85e02
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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