HRID1216746

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

HCID578680

3-(1,1,2,2-Tetrafluoroethoxy)benzoic acid

C9H6F4O3

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(OC(F)(F)C(F)F)c1

HCID57505716

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f7e4904452c4df6b8953650f3a68b1f
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

[CH3:23][N:24]([CH3:25])[CH:26]=[O:27].[CH3:51][N:52]1[CH2:53][CH2:54][CH2:55][C:56]1=[O:57].[Cl:17][C:18]([C:19]([Cl:20])=[O:21])=[O:22].[F:1][C:2]([CH:3]([F:4])[F:5])([O:6][c:7]1[cH:8][c:9]([C:10](=[O:11])[OH:12])[cH:13][cH:14][cH:15]1)[F:16].[NH2:28][c:29]1[cH:30][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][cH:49][cH:50]1.[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1>>[F:1][C:2]([CH:3]([F:4])[F:5])([O:6][c:7]1[cH:8][c:9]([C:10](=[O:12])[NH:28][c:29]2[cH:30][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][cH:49][cH:50]2)[cH:13][cH:14][cH:15]1)[F:16]