HRID295220

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID2725755

2-Morpholino-5-nitrobenzoic acid

C11H12N2O5

HCID2746595

6-Chloro-2-(piperazin-1-yl)-1,3-benzothiazole

C11H12ClN3S

PRODUCTS

生成物

结构：O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCN(c2nc3ccc(Cl)cc3s2)CC1

HCID11677524

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4a66ce36ad94ca39e531dd591b31725
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

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