HRID1556669

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID78308

Pyridine, 2-chloro-5-nitro-

C5H3ClN2O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID58158532

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cn2cc(Oc3ccc([N+](=O)[O-])cn3)ccc2n1)C1CC1

HCID58158519

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b71386347e80420d8548e42d0a1cfe3b
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:27](=[O:28])([O-:29])[O-:30].[CH3:33][CH2:34][O:35][C:36](=[O:37])[CH3:38].[CH3:39][S:40](=[O:41])[CH3:42].[Cl:17][c:18]1[n:19][cH:20][c:21]([N+:24](=[O:25])[O-:26])[cH:22][cH:23]1.[Cs+:31].[Cs+:32].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH2:43].[OH:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([cH:7]1)[cH:8][c:9]([NH:11][C:12](=[O:13])[CH:14]1[CH2:15][CH2:16]1)[n:10]2>>[O:1]([c:2]1[cH:3][cH:4][c:5]2[n:6]([cH:7]1)[cH:8][c:9]([NH:11][C:12](=[O:13])[CH:14]1[CH2:15][CH2:16]1)[n:10]2)[c:18]1[n:19][cH:20][c:21]([N+:24](=[O:25])[O-:26])[cH:22][cH:23]1