HRID106427

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID73888

Butanoic acid, 4-chloro-4-oxo-, methyl ester

C5H7ClO3

HCID81531

Diisopropylethylamine

C8H19N

结构：COc1cc2c(cc1OC)-c1[nH]nc(Nc3cccc(F)c3)c1C2

HCID9797370

JNJ-10198409

C18H16FN3O2

PRODUCTS

生成物

结构：COC(=O)CCC(=O)n1nc(Nc2cccc(F)c2)c2c1-c1cc(OC)c(OC)cc1C2

HCID58824826

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4e88301fce340d18c2d476c86c7a43e
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

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