HRID114201

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID1003

Dihydrogen phosphate

H2O4P-

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8871

2(1H)-Pyridinone

C5H5NO

HCID12679

Hexamethylphosphoramide

C6H18N3OP

HCID96623

Acetyl chloride, methoxy-

C3H5ClO2

HCID54422544

4-(Dimethylamino)-3-[3-(trifluoromethyl)phenyl]but-3-en-2-one

C13H14F3NO

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：COCC(=O)CC(=O)C(=CN(C)C)c1cccc(C(F)(F)F)c1

HCID54463903

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa8595ebfbe24b708099c89c04b79f7f
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

[CH2:8]([Li:9])[CH2:10][CH2:11][CH3:12].[CH3:13][N:14]([CH:15]=[C:16]([C:17]([CH3:18])=[O:19])[c:20]1[cH:21][c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][cH:24][cH:25]1)[CH3:30].[CH3:31][O:32][CH2:33][C:34](=[O:35])[Cl:36].[CH3:55][N:56]([P:57]([N:58]([CH3:59])[CH3:60])([N:61]([CH3:62])[CH3:63])=[O:64])[CH3:65].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[K+:37].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[OH:38][P:39](=[O:40])([O-:41])[OH:42].[nH:43]1[cH:44][cH:45][cH:46][cH:47][c:48]1=[O:49]>>[CH3:13][N:14]([CH:15]=[C:16]([C:17]([CH2:18][C:34]([CH2:33][O:32][CH3:31])=[O:35])=[O:19])[c:20]1[cH:21][c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][cH:24][cH:25]1)[CH3:30]