HRID1221875

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID70284

2-(4-Methylpiperazin-1-yl)ethanamine

C7H17N3

结构：CCn1cc(-c2ccnc3[nH]c(C(=O)O)cc23)c(-c2ccc([N+](=O)[O-])cc2)n1

HCID46236484

未命名化合物

PRODUCTS

生成物

结构：CCn1cc(-c2ccnc3[nH]c(C(=O)NCCN4CCN(C)CC4)cc23)c(-c2ccc([N+](=O)[O-])cc2)n1

HCID46236621

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-246e70897d6f47a0a6339e679a268480
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:1]([CH3:2])[n:3]1[n:4][c:5](-[c:20]2[cH:21][cH:22][c:23]([N+:26](=[O:27])[O-:28])[cH:24][cH:25]2)[c:6](-[c:8]2[c:9]3[c:10]([n:11][cH:12][cH:13]2)[nH:14][c:15]([C:17](=[O:18])[OH:19])[cH:16]3)[cH:7]1.[CH3:29][N:30]1[CH2:31][CH2:32][N:33]([CH2:36][CH2:37][NH2:38])[CH2:34][CH2:35]1.[CH3:40][N:41]([CH3:42])[CH2:43][CH2:44][CH2:45][N:46]=[C:47]=[N:48][CH2:49][CH3:50].[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[ClH:39]>>[CH2:1]([CH3:2])[n:3]1[n:4][c:5](-[c:20]2[cH:21][cH:22][c:23]([N+:26](=[O:27])[O-:28])[cH:24][cH:25]2)[c:6](-[c:8]2[c:9]3[c:10]([n:11][cH:12][cH:13]2)[nH:14][c:15]([C:17](=[O:19])[NH:38][CH2:37][CH2:36][N:33]2[CH2:32][CH2:31][N:30]([CH3:29])[CH2:35][CH2:34]2)[cH:16]3)[cH:7]1