HRID310179

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID673

Glycine, N,N-dimethyl-

C4H9NO2

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID83717

Copper iodide (CuI2)

CuI2

HCID12777795

4-(Trifluoromethyl)-1H-pyrazole

C4H3F3N2

HCID58904379

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-n2cc(C(F)(F)F)cn2)ccc1OCc1ccccc1

HCID68156562

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc2f0bec144d491694927794afcd9fd7
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:33](=[O:34])([O-:35])[O-:36].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH3:16])[cH:11][c:12]([I:15])[cH:13][cH:14]1.[CH3:26][N:27]([CH3:28])[CH2:29][C:30]([OH:31])=[O:32].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[CH3:49][S:50]([CH3:51])=[O:52].[Cu:46]([I:47])[I:48].[F:17][C:18]([c:19]1[cH:20][n:21][nH:22][cH:23]1)([F:24])[F:25].[K+:37].[K+:38].[NH3:39]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH3:16])[cH:11][c:12](-[n:21]2[cH:20][c:19]([C:18]([F:17])([F:24])[F:25])[cH:23][n:22]2)[cH:13][cH:14]1