HRID187364

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID24386

Thionyl chloride

Cl2OS

HCID2779652

5-Chloro-1,3-dimethyl-1H-pyrazole-4-carboxylic acid

C6H7ClN2O2

结构：CC(C)CCC(C)c1cc(C(C(F)(F)F)C(F)(F)F)ccc1N

HCID86760775

未命名化合物

PRODUCTS

生成物

结构：Cc1nn(C)c(Cl)c1C(=O)Nc1ccc(C(C(F)(F)F)C(F)(F)F)cc1C(C)CCC(C)C

HCID86760774

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7d305d6ba4e4c9e8ec6658c708c91c0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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