HRID109070

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID76820

1,1'-(4-Chlorobutylidene)bis(4-fluorobenzene)

C16H15ClF2

HCID19883516

未命名化合物

PRODUCTS

生成物

结构：COC1CN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CCC1(OC)OC

HCID19883480

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c29fc13bc794cc084d4aae58b85a630
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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