HRID1210996

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID15891

Phenyl carbonochloridate

C7H5ClO2

HCID19660

Carbonate

CO3-2

HCID2973426

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Oc2ccccc2)cc1

HCID53630185

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-75ae8926d3354dceb9a6b7d69f3ba849
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

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