HRID157790

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1118

Sulfuric acid

H2O4S

反应SMILES：CN(CCOCC(=O)OC(C)(C)C)C(=O)c1c(-c2ccc(C(C)(C)C)cc2)n(C)n(-c2ccc(C#N)cc2)c1=O

HCID15435507

未命名化合物

PRODUCTS

产物

反应SMILES：CCOC(=O)COCCN(C)C(=O)c1c(-c2ccc(C(C)(C)C)cc2)n(C)n(-c2ccc(C#N)cc2)c1=O

HCID15435508

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0c5a1c57c01f481d92349154fe98c545
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

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