HRID669510

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID8900

Heptane

C7H16

HCID10866879

5-Fluoro-1,3-dimethyl-1H-pyrazole-4-carbonyl chloride

C6H6ClFN2O

HCID68428307

未命名化合物

PRODUCTS

生成物

结构：Cc1nn(C)c(F)c1C(=O)N(C1CC1)C1CCc2cccc(Cl)c21

HCID68429771

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c35179b59064794a3b3c59f90ea27fb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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