HRID693211

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7969

Benzenethiol

C6H6S

HCID8857

Ethyl acetate

C4H8O2

HCID11594

2-Methylheptane

C8H18

HCID15809

4-Nitrothiophenol

C6H5NO2S

HCID166653

Hydride

H-

结构：CC(=O)OCC1OC(OCCBr)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID15298074

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC1OC(OCCSc2ccc([N+](=O)[O-])cc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID178476166

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60f6aa04bf794f2eadb09d6889be3b71
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:13]([CH3:14])(=[O:15])[O:16][CH:17]1[CH:18]([O:19][CH2:20][CH2:21][Br:22])[O:23][CH:24]([CH2:35][O:36][C:37]([CH3:38])=[O:39])[CH:25]([O:31][C:32]([CH3:33])=[O:34])[CH:26]1[O:27][C:28]([CH3:29])=[O:30].[C:55]([O:56][CH2:57][CH3:58])(=[O:59])[CH3:60].[CH3:47][CH2:48][CH2:49][CH2:50][CH2:51][CH:52]([CH3:53])[CH3:54].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[H-:11].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([SH:10])[cH:8][cH:9]1.[Na+:12].[OH2:66].[SH:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([S:10][CH2:21][CH2:20][O:19][CH:18]2[CH:17]([O:16][C:13]([CH3:14])=[O:15])[CH:26]([O:27][C:28]([CH3:29])=[O:30])[CH:25]([O:31][C:32]([CH3:33])=[O:34])[CH:24]([CH2:35][O:36][C:37]([CH3:38])=[O:39])[O:23]2)[cH:8][cH:9]1