HRID134926

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID4778175

2-Amino-N,N-dimethylbenzamide

C9H12N2O

HCID10806184

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1N1CCN(CCCNc2ccccc2C(=O)N(C)C)CC1

HCID10572854

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-658ecfe388c44b4cb71ef0cc5dff6ca5
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:35](=[O:36])([O-:37])[O-:38].[CH3:1][S:2]([O:3][CH2:6][CH2:7][CH2:8][N:9]1[CH2:10][CH2:11][N:12]([c:15]2[c:16]([O:21][CH3:22])[cH:17][cH:18][cH:19][cH:20]2)[CH2:13][CH2:14]1)(=[O:4])=[O:5].[CH3:42][C:43]#[N:44].[K+:39].[K+:40].[NH2:23][c:24]1[c:25]([C:26](=[O:27])[N:28]([CH3:29])[CH3:30])[cH:31][cH:32][cH:33][cH:34]1.[OH2:41]>>[CH2:6]([CH2:7][CH2:8][N:9]1[CH2:10][CH2:11][N:12]([c:15]2[c:16]([O:21][CH3:22])[cH:17][cH:18][cH:19][cH:20]2)[CH2:13][CH2:14]1)[NH:23][c:24]1[c:25]([C:26](=[O:27])[N:28]([CH3:29])[CH3:30])[cH:31][cH:32][cH:33][cH:34]1