HRID314760

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6386

tert-Butyl alcohol

C4H10O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID199401

Phosphinic azide, diphenyl-

C12H10N3OP

HCID23084935

4-Nitro-1-phenyl-1H-pyrazole-3-carboxylic acid

C10H7N3O4

PRODUCTS

生成物

HCID23084913

4-Nitro-1-phenyl-1H-pyrazol-3-amine

C9H8N4O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd8b74a3c8d048809ae122c348dbaf1f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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