HRID138360

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID6342

Acetonitrile

C2H3N

HCID201262

Benzeneboronic acid, p-methoxy-

C7H9BO3

结构：CC(C)(C)OC(=O)NC1(C(=O)NC(C#N)Cc2ccc(I)cc2)CCOCC1

HCID68430038

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2ccc(CC(C#N)NC(=O)C3(NC(=O)OC(C)(C)C)CCOCC3)cc2)cc1

HCID72328359

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-95d3f6ee9a4947aa977352a17b1e93e0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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