HRID1127547

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6228

Dimethylformamide

C3H7NO

HCID8857

Ethyl Acetate

C4H8O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

反应SMILES：COC(=O)c1cccc(CCCC(NC(=O)C(Cc2cccc(C)c2)NC(=O)C(c2ccccc2)c2ccccc2)C(N)=O)c1

HCID178497753

未命名化合物

PRODUCTS

产物

反应SMILES：COC(=O)c1cccc(CCCC(C#N)NC(=O)C(Cc2cccc(C)c2)NC(=O)C(c2ccccc2)c2ccccc2)c1

HCID178497750

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-2633d7e1118e427982ee5f3c96000898
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[CH3:18][O:19][C:20](=[O:21])[c:22]1[cH:23][c:24]([CH2:28][CH2:29][CH2:30][CH:31]([C:32](=[O:33])[NH2:34])[NH:35][C:36]([CH:37]([NH:38][C:39]([CH:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)=[O:53])[CH2:54][c:55]2[cH:56][c:57]([CH3:61])[cH:58][cH:59][cH:60]2)=[O:62])[cH:25][cH:26][cH:27]1.[CH3:63][CH2:64][O:65][C:66]([CH3:67])=[O:68].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[O:7]=[CH:8][N:9]([CH3:10])[CH3:11].[cH:12]1[cH:13][cH:14][n:15][cH:16][cH:17]1>>[CH3:18][O:19][C:20](=[O:21])[c:22]1[cH:23][c:24]([CH2:28][CH2:29][CH2:30][CH:31]([C:32]#[N:34])[NH:35][C:36]([CH:37]([NH:38][C:39]([CH:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)=[O:53])[CH2:54][c:55]2[cH:56][c:57]([CH3:61])[cH:58][cH:59][cH:60]2)=[O:62])[cH:25][cH:26][cH:27]1