HRID2127307

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID14761447

2-(Trifluoromethyl)pyridine-4-carboxylic acid

C7H4F3NO2

HCID68325613

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCOC(c2ccc(NC(=O)c3ccnc(C(F)(F)F)c3)cc2F)C1

HCID71086868

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b852c4e6917d403395d5de8b0eca7a85
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:14]([CH3:15])([CH3:16])([CH3:17])[O:18][C:19](=[O:20])[N:21]1[CH2:22][CH:23]([c:27]2[c:28]([F:34])[cH:29][c:30]([NH2:33])[cH:31][cH:32]2)[O:24][CH2:25][CH2:26]1.[CH2:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH:40]([CH3:41])[CH3:42])[CH3:43].[Cl:44][CH2:45][Cl:46].[F:1][C:2]([c:3]1[n:4][cH:5][cH:6][c:7]([C:9](=[O:10])[OH:11])[cH:8]1)([F:12])[F:13].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51]>>[F:1][C:2]([c:3]1[n:4][cH:5][cH:6][c:7]([C:9](=[O:11])[NH:33][c:30]2[cH:29][c:28]([F:34])[c:27]([CH:23]3[CH2:22][N:21]([C:19]([O:18][C:14]([CH3:15])([CH3:16])[CH3:17])=[O:20])[CH2:26][CH2:25][O:24]3)[cH:32][cH:31]2)[cH:8]1)([F:12])[F:13]