HRID2336958

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

2 次

HCID10009

3-Pyridinamine

C5H6N2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：CC1(C)CNC(=O)c2cc3ccc(C(=O)O)cc3n21

HCID58767565

未命名化合物

PRODUCTS

产物

反应SMILES：CC1(C)CNC(=O)c2cc3ccc(C(=O)Nc4cccnc4)cc3n21

HCID15604847

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-efd2cfb78c9f47189351c55fb15490b6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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