HRID1549537

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID94264

2-Cyclohexyloxirane

C8H14O

结构：N#Cc1ccccc1-c1ccc(Cn2c(=O)[nH]c(=O)c3cc(CC(F)(F)F)sc32)cc1

HCID59351725

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccccc1-c1ccc(Cn2c(=O)n(CC(=O)C3CCCCC3)c(=O)c3cc(CC(F)(F)F)sc32)cc1

HCID59351678

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-021d257f95194c7fba6875b5c139f6c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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