HRID207130

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID27099

Copper(2+)

Cu+2

HCID2734378

Pyridine-3-boronic acid

C5H6BNO2

结构：N#Cc1c(N2CCN(C(=O)c3cccs3)CC2)c2cscc2[nH]c1=O

HCID59702116

未命名化合物

PRODUCTS

生成物

结构：N#Cc1c(N2CCN(C(=O)c3cccs3)CC2)c2cscc2n(-c2cccnc2)c1=O

HCID59702048

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e8c23b6d90b74caa9d7f70618c7f95ab
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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