HRID87094

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID66096

3-(Trifluoromethoxy)benzoic acid

C8H5F3O3

结构：COc1ccc(N)cc1Oc1ccc2nc(NC(=O)C3CC3)cn2n1

HCID57505485

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(NC(=O)c2cccc(OC(F)(F)F)c2)cc1Oc1ccc2nc(NC(=O)C3CC3)cn2n1

HCID57505713

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c81bfd845f6401391ad6b2dd391d216
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

[CH3:21][N:22]([CH3:23])[CH:24]=[O:25].[CH3:51][N:52]1[CH2:53][CH2:54][CH2:55][C:56]1=[O:57].[Cl:15][C:16]([C:17]([Cl:18])=[O:19])=[O:20].[F:1][C:2]([O:3][c:4]1[cH:5][c:6]([C:7](=[O:8])[OH:9])[cH:10][cH:11][cH:12]1)([F:13])[F:14].[NH2:26][c:27]1[cH:28][cH:29][c:30]([O:49][CH3:50])[c:31]([O:32][c:33]2[cH:34][cH:35][c:36]3[n:37]([n:38]2)[cH:39][c:40]([NH:42][C:43](=[O:44])[CH:45]2[CH2:46][CH2:47]2)[n:41]3)[cH:48]1.[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1>>[F:1][C:2]([O:3][c:4]1[cH:5][c:6]([C:7](=[O:9])[NH:26][c:27]2[cH:28][cH:29][c:30]([O:49][CH3:50])[c:31]([O:32][c:33]3[cH:34][cH:35][c:36]4[n:37]([n:38]3)[cH:39][c:40]([NH:42][C:43](=[O:44])[CH:45]3[CH2:46][CH2:47]3)[n:41]4)[cH:48]2)[cH:10][cH:11][cH:12]1)([F:13])[F:14]