HRID295601

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

HCID167070

2-Chloro-1-methylpyridinium

C6H7ClN+

结构：O=C(O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1

HCID21880607

未命名化合物

HCID66770089

未命名化合物

PRODUCTS

生成物

结构：CN(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1

HCID66770111

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e1f4766fc0b04129b723366d76b729a7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH:28]([N:29]([CH2:30][CH3:31])[CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[Cl:38][c:39]1[cH:40][cH:41][cH:42][cH:43][n+:44]1[CH3:45].[ClH:46].[I-:37].[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[c:1]1(-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:2]([NH:7][C:8](=[O:9])[O:10][CH:11]2[CH2:12][CH2:13][N:14]([CH2:17][CH2:18][C:19](=[O:20])[OH:21])[CH2:15][CH2:16]2)[cH:3][cH:4][cH:5][cH:6]1.[cH:47]1[cH:48][cH:49][cH:50][c:51]2[c:59]1[CH:58]([CH2:60][O:61][C:62]([NH:63][CH2:64][CH2:65][CH2:66][NH:67][CH3:68])=[O:69])[c:57]1[c:52]-2[cH:53][cH:54][cH:55][cH:56]1>>[c:1]1(-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:2]([NH:7][C:8](=[O:9])[O:10][CH:11]2[CH2:12][CH2:13][N:14]([CH2:17][CH2:18][C:19](=[O:20])[N:67]([CH2:66][CH2:65][CH2:64][NH:63][C:62]([O:61][CH2:60][CH:58]3[c:57]4[c:52]([cH:53][cH:54][cH:55][cH:56]4)-[c:51]4[cH:50][cH:49][cH:48][cH:47][c:59]43)=[O:69])[CH3:68])[CH2:15][CH2:16]2)[cH:3][cH:4][cH:5][cH:6]1