HRID97352

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID31374

Dimethylacetamide

C4H9NO

HCID77637

Cyclopropanecarbonyl chloride

C4H5ClO

结构：Nc1nc2ccc(Oc3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)cn2n1

HCID68416765

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)nn3c2)c1)c1cccc(C(F)(F)F)c1

HCID57749146

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f5d3ca71d5634b92bbafe21d7132cacf
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

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