HRID2144772

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID3283

Diethyl Ether

C4H10O

HCID8857

Ethyl acetate

C4H8O2

HCID3014080

1-Penten-3-one, 4,4-dimethyl-

C7H12O

HCID4574913

未命名化合物

HCID44554135

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)C(=O)CCn1c(-c2cccnc2)cc2cc(C#N)ccc21

HCID58215649

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c603d4e21c0f400d9294e608778ed4b0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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