HRID122487

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID688281

5-[3-(Trifluoromethyl)phenyl]furan-2-carboxylic acid

C12H7F3O3

结构：O=c1c2c([nH]c3ccccc13)C(c1ccc3c(c1)OCO3)NC2

HCID10892121

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1Cc2c([nH]c3ccccc3c2=O)C1c1ccc2c(c1)OCO2

HCID12993027

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-130873cbaa2d401ea5a88244ca567675
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

[CH2:25]1[O:26][c:27]2[cH:28][c:29]([CH:34]3[NH:35][CH2:36][c:37]4[c:38]3[nH:39][c:40]3[cH:41][cH:42][cH:43][cH:44][c:45]3[c:46]4=[O:47])[cH:30][cH:31][c:32]2[O:33]1.[CH2:63]1[O:64][CH2:65][CH2:66][CH2:67]1.[CH3:48][N:49]([c:50]1[cH:51][cH:52][n:53][cH:54][cH:55]1)[CH3:56].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH3:68][CH2:69][N:70]([CH2:71][CH3:72])[CH2:73][CH3:74].[Cl:19][C:20]([C:21]([Cl:22])=[O:23])=[O:24].[F:1][C:2]([c:3]1[cH:4][c:5](-[c:9]2[cH:10][cH:11][c:12]([C:14](=[O:15])[OH:16])[o:13]2)[cH:6][cH:7][cH:8]1)([F:17])[F:18].[O:75]=[CH:76][N:77]([CH3:78])[CH3:79]>>[F:1][C:2]([c:3]1[cH:4][c:5](-[c:9]2[cH:10][cH:11][c:12]([C:14](=[O:16])[N:35]3[CH:34]([c:29]4[cH:28][c:27]5[c:32]([cH:31][cH:30]4)[O:33][CH2:25][O:26]5)[c:38]4[c:37]([c:46](=[O:47])[c:45]5[c:40]([nH:39]4)[cH:41][cH:42][cH:43][cH:44]5)[CH2:36]3)[o:13]2)[cH:6][cH:7][cH:8]1)([F:17])[F:18]