HRID2343572

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID180

Acetone

C3H6O

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

HCID7918

Acetic anhydride

C4H6O3

HCID7923

2,5-Furandione

C4H2O3

HCID8471

Triethylamine

C6H15N

HCID104729

Cobaltous cation

Co+2

HCID10376339

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NNc1ccc(N2C(=O)C=CC2=O)cn1

HCID178454361

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a502725c6eb42e6b0f727af5f88dd2e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br-:38].[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[NH:8][NH:9][c:10]1[n:11][cH:12][c:13]([NH2:16])[cH:14][cH:15]1.[C:44]([O-:45])(=[O:46])[CH3:47].[C:49]([O-:50])(=[O:51])[CH3:52].[CH3:24][C:25]([O:26][C:27](=[O:28])[CH3:29])=[O:30].[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:40][C:41](=[O:42])[CH3:43].[Co+2:48].[K+:39].[O:17]=[C:18]1[O:19][C:20](=[O:21])[CH:22]=[CH:23]1>>[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[NH:8][NH:9][c:10]1[n:11][cH:12][c:13]([N:16]2[C:18](=[O:17])[CH:23]=[CH:22][C:20]2=[O:19])[cH:14][cH:15]1