HRID126320

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID8471

Triethylamine

C6H15N

HCID2734719

2,4-Dimethoxybenzoyl chloride

C9H9ClO3

结构：CC1(C)C(=O)NC(=O)c2c1ccc(N)c2[N+](=O)[O-]

HCID11118443

1,3(2H,4H)-Isoquinolinedione, 7-amino-4,4-dimethyl-8-nitro-

C11H11N3O4

PRODUCTS

生成物

结构：COc1ccc(C(=O)Nc2ccc3c(c2[N+](=O)[O-])C(=O)NC(=O)C3(C)C)c(OC)c1

HCID20384991

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4a37ce4b94e415395e13574e75cf796
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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