HRID100856

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID31374

Dimethylacetamide

C4H9NO

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID643158

1-methyl-1H-pyrazole-5-carboxylic acid

C5H6N2O2

结构：Nc1cc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)ccc1F

HCID57505446

未命名化合物

PRODUCTS

生成物

结构：Cn1nccc1C(=O)Nc1cc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)ccc1F

HCID24767990

N-[5-[[2-[(Cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]oxy]-2-fluorophenyl]-1-methyl-1H-pyrazole-5-carboxamide

C21H18FN7O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41db3288e2664245affb6d196ab99599
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][n:2]1[n:3][cH:4][cH:5][c:6]1[C:7](=[O:8])[OH:9].[CH3:45][N:46]([CH3:47])[C:48](=[O:49])[CH3:50].[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[Cl:15][C:16]([C:17]([Cl:18])=[O:19])=[O:20].[NH2:21][c:22]1[cH:23][c:24]([O:25][c:26]2[cH:27][cH:28][c:29]3[n:30]([n:31]2)[cH:32][c:33]([NH:35][C:36](=[O:37])[CH:38]2[CH2:39][CH2:40]2)[n:34]3)[cH:41][cH:42][c:43]1[F:44].[O:10]1[CH2:11][CH2:12][CH2:13][CH2:14]1>>[CH3:1][n:2]1[n:3][cH:4][cH:5][c:6]1[C:7](=[O:9])[NH:21][c:22]1[cH:23][c:24]([O:25][c:26]2[cH:27][cH:28][c:29]3[n:30]([n:31]2)[cH:32][c:33]([NH:35][C:36](=[O:37])[CH:38]2[CH2:39][CH2:40]2)[n:34]3)[cH:41][cH:42][c:43]1[F:44]