HRID179927

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID7748

Ethyl bromoacetate

C4H7BrO2

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

结构：CCOc1ccccc1OCCN(C(=O)OC(C)(C)C)C(C)Cc1cc(C#N)c2c(c1)CCN2

HCID20094383

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CN1CCc2cc(CC(C)N(CCOc3ccccc3OCC)C(=O)OC(C)(C)C)cc(C#N)c21

HCID54563971

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1542ea5f0ed24c00b37af9eb763c15a3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:41][CH2:42][C:43](=[O:44])[O:45][CH2:46][CH3:47].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH:9]([CH2:10][c:11]1[cH:12][c:13]2[c:17]([c:18]([C:20]#[N:21])[cH:19]1)[NH:16][CH2:15][CH2:14]2)[CH3:22])[CH2:23][CH2:24][O:25][c:26]1[c:27]([O:32][CH2:33][CH3:34])[cH:28][cH:29][cH:30][cH:31]1.[C:35](=[O:36])([O-:37])[O-:38].[K+:39].[K+:40].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[OH2:48]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH:9]([CH2:10][c:11]1[cH:12][c:13]2[c:17]([c:18]([C:20]#[N:21])[cH:19]1)[N:16]([CH2:42][C:43](=[O:44])[O:45][CH2:46][CH3:47])[CH2:15][CH2:14]2)[CH3:22])[CH2:23][CH2:24][O:25][c:26]1[c:27]([O:32][CH2:33][CH3:34])[cH:28][cH:29][cH:30][cH:31]1