HRID87561

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

HCID10816

4-Chlorobenzohydrazide

C7H7ClN2O

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID74115

Benzoic acid, 4-amino-3-nitro-

C7H6N2O4

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

PRODUCTS

生成物

结构：Nc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-]

HCID46651557

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7245f7fc78f54cc5b18a44e1771c85f5
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

[CH3:35][CH2:36][N:37]=[C:38]=[N:39][CH2:40][CH2:41][CH2:42][N:43]([CH3:44])[CH3:45].[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[NH:8][NH2:9])[cH:10][cH:11]1.[NH2:12][c:13]1[c:14]([N+:22](=[O:23])[O-:24])[cH:15][c:16]([C:17](=[O:18])[OH:19])[cH:20][cH:21]1.[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH2:58].[OH:25][n:26]1[c:27]2[c:28]([cH:29][cH:30][cH:31][cH:32]2)[n:33][n:34]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[NH:8][NH:9][C:17]([c:16]2[cH:15][c:14]([N+:22](=[O:23])[O-:24])[c:13]([NH2:12])[cH:21][cH:20]2)=[O:18])[cH:10][cH:11]1