HRID297350

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID712

Formaldehyde

CH2O

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID498716

未命名化合物

结构：CCCC1CC(N)CCC1N1CCC(NC(=O)OCc2ccccc2)C1=O

HCID178439377

未命名化合物

PRODUCTS

生成物

结构：CCCC1CC(N(C)C(C)C)CCC1N1CCC(NC(=O)OCc2ccccc2)C1=O

HCID178439382

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8061dbe25754cc481b10d94bee5932f
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

[C:32]([BH3-:33])#[N:34].[CH2:36]=[O:37].[CH3:28][C:29]([CH3:30])=[O:31].[CH3:38][OH:39].[NH2:1][CH:2]1[CH2:3][CH:4]([CH2:25][CH2:26][CH3:27])[CH:5]([N:8]2[C:9](=[O:24])[CH:10]([NH:13][C:14]([O:15][CH2:16][c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)=[O:23])[CH2:11][CH2:12]2)[CH2:6][CH2:7]1.[Na+:35]>>[N:1]([CH:2]1[CH2:3][CH:4]([CH2:25][CH2:26][CH3:27])[CH:5]([N:8]2[C:9](=[O:24])[CH:10]([NH:13][C:14]([O:15][CH2:16][c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)=[O:23])[CH2:11][CH2:12]2)[CH2:6][CH2:7]1)([CH:29]([CH3:28])[CH3:30])[CH3:32]