HRID135035

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9590

1-Fluoro-4-nitrobenzene

C6H4FNO2

HCID81531

Diisopropylethylamine

C8H19N

结构：CCCCCCCNCCc1csc(SC(C)(C)C(=O)OC(C)(C)C)n1

HCID59759312

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCN(CCc1csc(SC(C)(C)C(=O)OC(C)(C)C)n1)c1ccc([N+](=O)[O-])cc1

HCID59758845

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f94f79253ed480fa51c6074087606f6
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7]([CH3:8])([CH3:9])[S:10][c:11]1[s:12][cH:13][c:14]([CH2:16][CH2:17][NH:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])[n:15]1)=[O:26].[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[F:27][c:28]1[cH:29][cH:30][c:31]([N+:34](=[O:35])[O-:36])[cH:32][cH:33]1.[OH2:46]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7]([CH3:8])([CH3:9])[S:10][c:11]1[s:12][cH:13][c:14]([CH2:16][CH2:17][N:18]([CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])[c:28]2[cH:29][cH:30][c:31]([N+:34](=[O:35])[O-:36])[cH:32][cH:33]2)[n:15]1)=[O:26]