HRID1137569

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID122425

5-Nitro-2-pyridylaminoethyl-2-amine

C7H10N4O2

HCID22142763

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cnc(NCCNc2ccc([N+](=O)[O-])cn2)cc1-c1ccccc1

HCID22143004

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b2ef9ef85c9847e09bcbcb5c09d1683b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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