HRID150373

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID22523

5-Nitroindole

C8H6N2O2

HCID104967

Cesium(1+)

Cs+

2 次

结构：COC(=O)C(Cc1ccccc1)OS(=O)(=O)C(F)(F)F

HCID13388932

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccccc1)n1ccc2cc([N+](=O)[O-])ccc21

HCID59216706

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a87f42bdd69c4418b1da569b202de5da
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:13](=[O:14])([O-:15])[O-:16].[CH3:19][O:20][C:21]([CH:22]([CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[O:30][S:31]([C:32]([F:33])([F:34])[F:35])(=[O:36])=[O:37])=[O:38].[CH3:39][CH2:40][CH2:41][CH2:42][CH2:43][CH3:44].[CH3:45][C:46](=[O:47])[CH3:48].[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[Cs+:17].[Cs+:18].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]2[cH:7][cH:8][nH:9][c:10]2[cH:11][cH:12]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]2[cH:7][cH:8][n:9]([CH:22]([C:21]([O:20][CH3:19])=[O:38])[CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[c:10]2[cH:11][cH:12]1