HRID297552

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

HCID2736677

2-Chloro-3-(trifluoromethyl)benzoic acid

C8H4ClF3O2

结构：Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c1

HCID57386059

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c1)c1cccc(C(F)(F)F)c1Cl

HCID57505704

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-978549c81511428c97cef13d5a14f99f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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