HRID2328664

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID2785138

2,4-dichloro-3-nitroquinoline

C9H4Cl2N2O2

HCID3354775

1-(N-Boc-aminomethyl)-4-(aminomethyl)benzene

C13H20N2O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCc1ccc(CNc2c([N+](=O)[O-])c(Cl)nc3ccccc23)cc1

HCID86633725

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0dc426c73484e028175eba11e5f194f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:23](=[O:24])([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[NH:30][CH2:31][c:32]1[cH:33][cH:34][c:35]([CH2:38][NH2:39])[cH:36][cH:37]1.[CH3:16][CH2:17][N:18]([CH2:19][CH3:20])[CH2:21][CH3:22].[Cl:1][c:2]1[n:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[c:10]([Cl:15])[c:11]1[N+:12](=[O:13])[O-:14].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[OH2:40]>>[Cl:1][c:2]1[n:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[c:10]([NH:39][CH2:38][c:35]2[cH:34][cH:33][c:32]([CH2:31][NH:30][C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[cH:37][cH:36]2)[c:11]1[N+:12](=[O:13])[O-:14]