HRID1237083

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID24386

Thionyl chloride

Cl2OS

HCID31374

Dimethylacetamide

C4H9NO

HCID2775665

1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

C6H5F3N2O2

结构：Nc1cc(Oc2ccc3nc(NC(=O)C4CC4)nn3c2)ccc1F

HCID57749270

N-[6-(3-amino-4-fluorophenoxy)[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C16H14FN5O2

PRODUCTS

生成物

结构：Cn1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)ccc2F)c(C(F)(F)F)n1

HCID57749392

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc07aa5b0b474ff3ab47e24ca1d80de3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:1][n:2]1[n:3][c:4]([C:10]([F:11])([F:12])[F:13])[c:5]([C:7](=[O:8])[OH:9])[cH:6]1.[CH3:47][N:48]([CH3:49])[C:50](=[O:51])[CH3:52].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[NH2:23][c:24]1[cH:25][c:26]([O:27][c:28]2[cH:29][cH:30][c:31]3[n:32]([cH:33]2)[n:34][c:35]([NH:37][C:38](=[O:39])[CH:40]2[CH2:41][CH2:42]2)[n:36]3)[cH:43][cH:44][c:45]1[F:46].[O:14]1[CH2:15][CH2:16][CH2:17][CH2:18]1.[S:19]([Cl:20])([Cl:21])=[O:22]>>[CH3:1][n:2]1[n:3][c:4]([C:10]([F:11])([F:12])[F:13])[c:5]([C:7](=[O:8])[NH:23][c:24]2[cH:25][c:26]([O:27][c:28]3[cH:29][cH:30][c:31]4[n:32]([cH:33]3)[n:34][c:35]([NH:37][C:38](=[O:39])[CH:40]3[CH2:41][CH2:42]3)[n:36]4)[cH:43][cH:44][c:45]2[F:46])[cH:6]1