HRID686299

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID16218335

1-[2-(Methanesulfonyl)phenyl]methanamine

C8H11NO2S

结构：CC(C)(C)OC(=O)NC1CCC(CNc2nc(Cl)ncc2[N+](=O)[O-])CC1

HCID57885529

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCC(CNc2nc(NCc3ccccc3S(C)(=O)=O)ncc2[N+](=O)[O-])CC1

HCID59845694

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-159b9c9fa5cb415893789ab44d93f693
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][CH2:10][CH:11]([CH2:14][NH:15][c:16]2[n:17][c:18]([Cl:25])[n:19][cH:20][c:21]2[N+:22](=[O:23])[O-:24])[CH2:12][CH2:13]1)=[O:26].[CH3:28][S:29](=[O:30])(=[O:31])[c:32]1[c:33]([CH2:34][NH2:35])[cH:36][cH:37][cH:38][cH:39]1.[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[ClH:27].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][CH2:10][CH:11]([CH2:14][NH:15][c:16]2[n:17][c:18]([NH:35][CH2:34][c:33]3[c:32]([S:29]([CH3:28])(=[O:30])=[O:31])[cH:39][cH:38][cH:37][cH:36]3)[n:19][cH:20][c:21]2[N+:22](=[O:23])[O-:24])[CH2:12][CH2:13]1)=[O:26]