HRID296807

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6456

Trityl chloride

C19H15Cl

HCID8857

Ethyl acetate

C4H8O2

HCID142179

4-Acetylpyrazole

C6H8N2O2

HCID4574913

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

HCID10523968

Ethyl 1-tritylpyrazole-4-carboxylate

C25H22N2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8590329a66344622a5bf7769a7d0bb13
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

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