HRID2317874

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID16699

N,N-diethyl-3-oxobutyramide

C8H15NO2

HCID166653

Hydride

H-

结构：CON(C)C(=O)C=Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1

HCID54223908

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCN(CC)C(=O)CC(=O)CC(=O)C=Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1

HCID73711299

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f37b555db77455898016cafb9f93dca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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