HRID1566820

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7748

Ethyl bromoacetate

C4H7BrO2

HCID166653

Hydride

H-

结构：CC(C)(C)OC(=O)NC1N=C(c2ccccc2F)c2ccccc2NC1=O

HCID19081122

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CN1C(=O)C(NC(=O)OC(C)(C)C)N=C(c2ccccc2F)c2ccccc21

HCID19081166

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67d4b69e29a8482f839d450430b01617
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

[Br:30][CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[C:10](=[O:27])[NH:11][c:12]2[c:13]([cH:23][cH:24][cH:25][cH:26]2)[C:14]([c:16]2[c:17]([F:22])[cH:18][cH:19][cH:20][cH:21]2)=[N:15]1.[CH3:38][N:39]([CH3:40])[CH:41]=[O:42].[H-:28].[Na+:29].[OH2:37]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[C:10](=[O:27])[N:11]([CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36])[c:12]2[c:13]([cH:23][cH:24][cH:25][cH:26]2)[C:14]([c:16]2[c:17]([F:22])[cH:18][cH:19][cH:20][cH:21]2)=[N:15]1