HRID308441

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID7918

Acetic anhydride

C4H6O3

结构：C#CCOc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2CC(O)c1ccccc1

HCID60112778

未命名化合物

PRODUCTS

生成物

结构：C#CCOc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2CC(OC(C)=O)c1ccccc1

HCID60112788

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42ffc1bd5baa422a9715b567f95a1d3a
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

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