HRID1560974

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6332

Bromoethane

C2H5Br

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)OC(=O)NCCCN(CCCNCc1c2ccccc2cc2ccccc12)C(=O)OC(C)(C)C

HCID11720576

未命名化合物

PRODUCTS

生成物

结构：CCN(CCCN(CCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)Cc1c2ccccc2cc2ccccc12

HCID11497655

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c39bb55477b14e71a96cfc1f64600f73
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:4]([CH3:5])([CH3:6])([CH3:7])[O:8][C:9]([N:10]([CH2:11][CH2:12][CH2:13][NH:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:22][CH2:23][CH2:24][NH:25][CH2:26][c:27]1[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[cH:34][c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]12)=[O:41].[CH2:1]([CH3:2])[Br:3].[CH3:48][C:49]#[N:50].[K+:42].[K+:43].[O-:44][C:45]([O-:46])=[O:47]>>[CH2:1]([CH3:2])[N:25]([CH2:24][CH2:23][CH2:22][N:10]([C:9]([O:8][C:4]([CH3:5])([CH3:6])[CH3:7])=[O:41])[CH2:11][CH2:12][CH2:13][NH:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:26][c:27]1[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[cH:34][c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]12