HRID115222

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID9963

3-(Trifluoromethyl)benzoic acid

C8H5F3O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：Nc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)cc1

HCID57505463

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)cc1)c1cccc(C(F)(F)F)c1

HCID57505760

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c3746598547c45b7ba654d551a46f251
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

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