HRID159197

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID60984

Methyl bromoacetate

C3H5BrO2

结构：CC(C)(C)OC(=O)CC(CCCC1CCCCC1)c1nc(CN)no1

HCID21305074

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CNCc1noc(C(CCCC2CCCCC2)CC(=O)OC(C)(C)C)n1

HCID21305120

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55745f8f619c4d93af856a1e958ea8de
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

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