HRID308084

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID27099

Copper(2+)

Cu+2

HCID16414188

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile

C12H15BN2O2

结构：Cn1ccc(NC(=O)c2cc(O)c3c(c2)OC(C)(C)C3)n1

HCID59560084

未命名化合物

PRODUCTS

生成物

结构：Cn1ccc(NC(=O)c2cc(Oc3ccc(C#N)nc3)c3c(c2)OC(C)(C)C3)n1

HCID66756100

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea5ea5fb1ee64652a0c95c1ca76efde7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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