HRID1127839

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7726

4-Chlorobenzaldehyde

C7H5ClO

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8471

Triethylamine

C6H15N

HCID9845

Trifluoroacetic anhydride

C4F6O3

HCID12679

Hexamethylphosphoramide

C6H18N3OP

HCID137080

3(2H)-Furanone, 2,2,5-trimethyl-

C7H10O2

PRODUCTS

生成物

HCID53904971

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f408e097fe074a25aff342a00a3018c7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49].[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[CH3:57][N:58]([P:59]([N:60]([CH3:61])[CH3:62])([N:63]([CH3:64])[CH3:65])=[O:66])[CH3:67].[CH3:8][C:9]1([CH3:16])[O:10][C:11]([CH3:15])=[CH:12][C:13]1=[O:14].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[Cl:17][c:18]1[cH:19][cH:20][c:21]([CH:22]=[O:23])[cH:24][cH:25]1.[F:26][C:27]([F:28])([F:29])[C:30]([O:31][C:32](=[O:33])[C:34]([F:35])([F:36])[F:37])=[O:38].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1>>[CH3:8][C:9]1([CH3:16])[O:10][C:11]([CH:15]=[CH:22][c:21]2[cH:20][cH:19][c:18]([Cl:17])[cH:25][cH:24]2)=[CH:12][C:13]1=[O:14]