HRID178896

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID888

Magnesium cation

Mg+2

HCID923

Sodium ion

Na+

3 次

HCID962

Water

H2O

HCID1099

Sulfite

O3S-2

HCID1117

Sulfate

O4S-2

HCID8857

Ethyl acetate

C4H8O2

HCID24401

Permanganate Ion

MnO4-

结构：CC(C)(C)Cn1c(N)nc2ccc(C#Cc3ccc(F)cc3)nc21

HCID68898080

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)Cn1c(N)nc2ccc(C(=O)C(=O)c3ccc(F)cc3)nc21

HCID68866707

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c5c4b03c5d041548560aa2b48715354
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

[CH3:12][C:13]([CH2:14][n:15]1[c:16]([NH2:33])[n:17][c:18]2[c:19]1[n:20][c:21]([C:24]#[C:25][c:26]1[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]1)[cH:22][cH:23]2)([CH3:34])[CH3:35].[CH3:49][C:50](=[O:51])[CH3:52].[CH3:53][CH2:54][O:55][C:56]([CH3:57])=[O:58].[K+:41].[Mg+2:1].[Mn:36]([O-:37])(=[O:38])(=[O:39])=[O:40].[Na+:11].[Na+:46].[Na+:47].[O-:2][S:3]([O-:4])(=[O:5])=[O:6].[O-:7][C:8]([OH:9])=[O:10].[OH2:48].[S:42]([O-:43])([O-:44])=[O:45]>>[O:7]=[C:24]([c:21]1[n:20][c:19]2[n:15]([CH2:14][C:13]([CH3:12])([CH3:34])[CH3:35])[c:16]([NH2:33])[n:17][c:18]2[cH:23][cH:22]1)[C:25]([c:26]1[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]1)=[O:48]