HRID1145262

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID58557259

4-Chloro-5-nitro-1H-pyrrolo[2,3-b]pyridine

C7H4ClN3O2

HCID76828844

未命名化合物

PRODUCTS

生成物

结构：CCC1CC(NS(=O)(=O)C2CC2)CC1Nc1c([N+](=O)[O-])cnc2[nH]ccc12

HCID77394650

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-755174ba748e4b158761afbb2c803438
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:44][CH2:45][O:46][C:47]([CH3:48])=[O:49].[CH:14]([N:15]([CH2:16][CH3:17])[CH:18]([CH3:19])[CH3:20])([CH3:21])[CH3:22].[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][c:7]1[N+:8](=[O:9])[O-:10])[nH:11][cH:12][cH:13]2.[ClH:23].[NH2:24][CH:25]1[CH2:26][CH:27]([NH:32][S:33](=[O:34])(=[O:35])[CH:36]2[CH2:37][CH2:38]2)[CH2:28][CH:29]1[CH2:30][CH3:31].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43]>>[c:2]1([NH:24][CH:25]2[CH2:26][CH:27]([NH:32][S:33](=[O:34])(=[O:35])[CH:36]3[CH2:37][CH2:38]3)[CH2:28][CH:29]2[CH2:30][CH3:31])[c:3]2[c:4]([n:5][cH:6][c:7]1[N+:8](=[O:9])[O-:10])[nH:11][cH:12][cH:13]2