HRID115879

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID2063713

N,N-dimethyl-2-(methylamino)acetamide

C5H12N2O

结构：O=C(NCc1ccc(F)cc1)c1nc(Br)c2cccnc2c1O

HCID22346401

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)CN(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12

HCID15958276

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-180a8ca3f8924b53aaa12ae71b29fa9d
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

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