HRID1212561

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID27099

Copper(2+)

Cu+2

HCID2734378

Pyridine-3-boronic acid

C5H6BNO2

结构：COc1ccc(-c2ccc3c(c2)C(N)CC(C)N3C(C)=O)cc1OC

HCID178488451

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2ccc3c(c2)C(Nc2cccnc2)CC(C)N3C(C)=O)cc1OC

HCID178488450

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aedf6377281043d88ee8e84c8c68f5a1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[N:4]1[CH:5]([CH3:25])[CH2:6][CH:7]([NH2:24])[c:8]2[cH:9][c:10](-[c:14]3[cH:15][c:16]([O:22][CH3:23])[c:17]([O:20][CH3:21])[cH:18][cH:19]3)[cH:11][cH:12][c:13]21.[C:50]([O-:51])(=[O:52])[CH3:53].[C:55]([O-:56])(=[O:57])[CH3:58].[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[Cl:42][CH2:43][Cl:44].[Cu+2:54].[Na+:49].[O-:45][C:46]([OH:47])=[O:48].[n:33]1[cH:34][c:35]([B:39]([OH:40])[OH:41])[cH:36][cH:37][cH:38]1>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH:5]([CH3:25])[CH2:6][CH:7]([NH:24][c:35]2[cH:34][n:33][cH:38][cH:37][cH:36]2)[c:8]2[cH:9][c:10](-[c:14]3[cH:15][c:16]([O:22][CH3:23])[c:17]([O:20][CH3:21])[cH:18][cH:19]3)[cH:11][cH:12][c:13]21