HRID168965

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID1049

Pyridine

C5H5N

HCID8857

Ethyl acetate

C4H8O2

HCID62325

2-Methylpropanoyl chloride

C4H7ClO

结构：CCOC(=O)c1cccc(NC(=O)NC2CNc3ccc(C)cc3N(CC(=O)c3ccccc3C)C2=O)c1

HCID21201630

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cccc(NC(=O)NC2CN(C(=O)C(C)C)c3ccc(C)cc3N(CC(=O)c3ccccc3C)C2=O)c1

HCID21201944

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e26ed96bad7419ca47e17fcb29c5f2d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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