HRID699696

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID19660

Carbonate

CO3-2

HCID123511

4-Chloro-1-(2-thienyl)butan-1-one

C8H9ClOS

HCID9974013

未命名化合物

PRODUCTS

生成物

结构：O=C(CCCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1cccs1

HCID10074068

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-21d291c4b8b1466eb1c779bf1e9e2baf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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