HRID172454

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID3776

Isopropanol

C3H8O

HCID19660

Carbonate

CO3-2

HCID2734380

Quinoline-8-boronic acid

C9H8BNO2

结构：CN(CCO)C(=O)c1ccc(C(Br)=C2CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID24897463

未命名化合物

PRODUCTS

生成物

结构：CN(CCO)C(=O)c1ccc(C(=C2CCN(C(=O)OC(C)(C)C)CC2)c2cccc3cccnc23)cc1

HCID24897464

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7a18b2e29c540f480d96295ea424ac2
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]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11](=[C:14]([c:15]2[cH:16][cH:17][c:18]([C:21]([N:22]([CH3:23])[CH2:24][CH2:25][OH:26])=[O:27])[cH:19][cH:20]2)[Br:28])[CH2:12][CH2:13]1.[CH:48]([OH:49])([CH3:50])[CH3:51].[K+:42].[K+:43].[O-:44][C:45]([O-:46])=[O:47].[n:29]1[cH:30][cH:31][cH:32][c:33]2[cH:34][cH:35][cH:36][c:37]([B:39]([OH:40])[OH:41])[c:38]12>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11](=[C:14]([c:15]2[cH:16][cH:17][c:18]([C:21]([N:22]([CH3:23])[CH2:24][CH2:25][OH:26])=[O:27])[cH:19][cH:20]2)[c:37]2[cH:36][cH:35][cH:34][c:33]3[cH:32][cH:31][cH:30][n:29][c:38]32)[CH2:12][CH2:13]1