HRID806908

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID14706449

1-((2-(2,4-Difluorophenyl)-3-methyl-2-oxiranyl)methyl)-1H-1,2,4-triazole

C12H11F2N3O

反应SMILES：O=c1[nH]ncn1-c1ccc(-n2ccn(-c3ccc(OCC(F)(F)C(F)F)cc3)c2=O)cc1

HCID15454652

未命名化合物

PRODUCTS

产物

反应SMILES：CC(n1ncn(-c2ccc(-n3ccn(-c4ccc(OCC(F)(F)C(F)F)cc4)c3=O)cc2)c1=O)C(O)(Cn1cncn1)c1ccc(F)cc1F

HCID178463156

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c5de595c2fd044a5a0f24176c2bfb6a1
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应SMILES

[C:51](=[O:52])([O-:53])[O-:54].[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[F:1][c:2]1[c:3]([C:9]2([CH2:13][n:14]3[n:15][cH:16][n:17][cH:18]3)[O:10][CH:11]2[CH3:12])[cH:4][cH:5][c:6]([F:8])[cH:7]1.[K+:55].[K+:56].[O:19]=[c:20]1[n:21](-[c:39]2[cH:40][cH:41][c:42](-[n:45]3[c:46](=[O:50])[nH:47][n:48][cH:49]3)[cH:43][cH:44]2)[cH:22][cH:23][n:24]1-[c:25]1[cH:26][cH:27][c:28]([O:31][CH2:32][C:33]([CH:34]([F:35])[F:36])([F:37])[F:38])[cH:29][cH:30]1.[O:68]1[CH2:69][CH2:70][CH2:71][CH2:72]1.[OH2:73]>>[F:1][c:2]1[c:3]([C:9]([OH:10])([CH:11]([CH3:12])[n:47]2[c:46](=[O:50])[n:45](-[c:42]3[cH:41][cH:40][c:39](-[n:21]4[c:20](=[O:19])[n:24](-[c:25]5[cH:26][cH:27][c:28]([O:31][CH2:32][C:33]([CH:34]([F:35])[F:36])([F:37])[F:38])[cH:29][cH:30]5)[cH:23][cH:22]4)[cH:44][cH:43]3)[cH:49][n:48]2)[CH2:13][n:14]2[n:15][cH:16][n:17][cH:18]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1