HRID88128

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID2735892

Cyclopentyl chloroformate

C6H9ClO2

结构：COC(=O)c1ccc(Cn2nc(OC)c3ccc(N)cc32)c(OC)c1

HCID23365880

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(Cn2nc(OC)c3ccc(NC(=O)OC4CCCC4)cc32)c(OC)c1

HCID23365908

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb1c6eaa4f6a4a9cbdaff5c609f8f38c
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

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