HRID170516

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID162203

5-((2-Aminoethyl)thiomethyl)-N,N-dimethyl-2-furanmethanamine

C10H18N2OS

结构：CCCCn1ccc(Cc2cnc(N[N+](=O)[O-])[nH]c2=O)cc1=O

HCID18470132

未命名化合物

PRODUCTS

生成物

结构：CCCCn1ccc(Cc2cnc(NCCSCc3ccc(CN(C)C)o3)[nH]c2=O)cc1=O

HCID53653085

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2faa0ddcb53e48c5927ce8ead82ed2eb
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

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