HRID674252

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID90097

Methyl 2-bromo-2-methylpropionate

C5H9BrO2

结构：CCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1cccc(N)c1)N2

HCID67442796

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1cccc(NC(C)(C)C(=O)OC)c1)N2

HCID67440480

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51b6b8dbee7e4f18a9203cda260329c2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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