HRID300657

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID79958

2,2-Dimethylbutyryl chloride

C6H11ClO

结构：Cc1ccc2c(c1)NC(=O)C(NC(=O)OC(C)(C)C)CN2

HCID21201581

未命名化合物

PRODUCTS

生成物

结构：CCC(C)(C)C(=O)N1CC(NC(=O)OC(C)(C)C)C(=O)Nc2cc(C)ccc21

HCID21201597

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35ea38c1a12649f6ac9c8fa9476da13d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:36]([Cl:37])[Cl:38].[CH3:22][C:23]([C:24](=[O:25])[Cl:26])([CH2:27][CH3:28])[CH3:29].[Cl:39][CH2:40][CH2:41][Cl:42].[O:1]=[C:2]1[CH:3]([NH:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:4][NH:5][c:6]2[c:7]([cH:9][c:10]([CH3:13])[cH:11][cH:12]2)[NH:8]1.[cH:30]1[cH:31][cH:32][n:33][cH:34][cH:35]1>>[O:1]=[C:2]1[CH:3]([NH:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:4][N:5]([C:24]([C:23]([CH3:22])([CH2:27][CH3:28])[CH3:29])=[O:25])[c:6]2[c:7]([cH:9][c:10]([CH3:13])[cH:11][cH:12]2)[NH:8]1