HRID1574510

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID944

Nitric Acid

HNO3

HCID962

Water

H2O

HCID10426

Carbonochloridic acid, trichloromethyl ester

C2Cl4O2

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID97525

3,5-Dimethyl-1H-pyrazole-1-carboximidamide

C6H10N4

HCID10424766

未命名化合物

PRODUCTS

生成物

结构：O=C=Nc1cccc(C(=O)NCCC(=O)OCc2ccccc2)c1

HCID54246722

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b9f0978dcdb4e38bd6e2cef5985816f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:14]([n:15]1[c:16]([CH3:17])[cH:18][c:19]([CH3:20])[n:21]1)(=[NH:22])[NH2:23].[CH2:1]([N:2]([CH:3]([CH3:4])[CH3:5])[CH:6]([CH3:7])[CH3:8])[CH3:9].[N+:10]([O-:11])([OH:12])=[O:13].[NH2:24][c:25]1[cH:26][c:27]([C:28](=[O:29])[NH:30][CH2:31][CH2:32][C:33](=[O:34])[O:35][CH2:36][c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:43][cH:44][cH:45]1.[O:46]=[C:47]([Cl:48])[O:49][C:50]([Cl:51])([Cl:52])[Cl:53].[O:54]1[CH2:55][CH2:56][O:57][CH2:58][CH2:59]1.[OH2:60]>>[N:24]([c:25]1[cH:26][c:27]([C:28](=[O:29])[NH:30][CH2:31][CH2:32][C:33](=[O:34])[O:35][CH2:36][c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:43][cH:44][cH:45]1)=[C:47]=[O:46]