HRID1217701

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6329

Methylamine

CH5N

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

结构：CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(C(=O)O)cc23)C1(C)C

HCID67269817

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1ccc2c(c1)c(C(=O)C1C(C)(C)C1(C)C)cn2CC1CCOCC1

HCID67269858

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de175ffd326841d090a2a0730c25ed1e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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