HRID937080

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

HCID2775651

2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic Acid

C6H4F3NO3

结构：Nc1cc(Oc2ccc3nc(NC(=O)C4CC4)nn3c2)ccc1Cl

HCID57749285

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)ccc2Cl)c(C(F)(F)F)o1

HCID57749379

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ab493cc04364dcd8bd4345b3f533c58
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:1][c:2]1[o:3][c:4]([C:10]([F:11])([F:12])[F:13])[c:5]([C:7](=[O:8])[OH:9])[n: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[Cl:46].[O:14]1[CH2:15][CH2:16][CH2:17][CH2:18]1.[S:19]([Cl:20])([Cl:21])=[O:22]>>[CH3:1][c:2]1[o:3][c:4]([C:10]([F:11])([F:12])[F:13])[c:5]([C:7](=[O:9])[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[Cl:46])[n:6]1