HRID1116363

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID3283

Diethyl Ether

C4H10O

HCID19660

Carbonate

CO3-2

HCID2734378

3-Pyridinylboronic acid

C5H6BNO2

结构：COc1cc2c(cc1Br)-c1c(Br)c3c(n1CC2)C(=O)N(C(C)(C)C)CCCC3

HCID58124858

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(cc1-c1cccnc1)-c1c(Br)c3c(n1CC2)C(=O)N(C(C)(C)C)CCCC3

HCID58124848

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-45488b5e1c6147cabca3e8ea3a925abf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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