HRID1153465

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID7498

alpha-Bromotoluene

C7H7Br

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：Cc1cc(O)c2cc(-c3cccc(C(F)(F)F)c3)nnc2c1

HCID135458024

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(OCc2ccccc2)c2cc(-c3cccc(C(F)(F)F)c3)nnc2c1

HCID23086737

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3506d6d220354645b06c4123fec46ff7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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