HRID806690

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1049

Pyridine

C5H5N

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID27099

Copper(2+)

Cu+2

HCID54391189

未命名化合物

结构：CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)[nH]c2ncnn12

HCID135715029

未命名化合物

PRODUCTS

生成物

结构：CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(-c2ccc(OC(C)C)cc2)c2ncnn12

HCID67009173

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06d78f3cddcc4218b90641278d0d318b
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:56]([O-:57])(=[O:58])[CH3:59].[C:61]([O-:62])(=[O:63])[CH3:64].[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[CH:29]([CH3:30])([CH3:31])[O:32][c:33]1[cH:34][cH:35][c:36]([O:39][B:40]([OH:41])[OH:42])[cH:37][cH:38]1.[Cu+2:60].[O:1]=[c:2]1[nH:3][c:4]2[n:5]([c:6]([CH2:23][CH2:24][CH3:25])[c:7]1[CH2:8][c:9]1[cH:10][cH:11][c:12](-[c:15]3[c:16]([C:21]#[N:22])[cH:17][cH:18][cH:19][cH:20]3)[cH:13][cH:14]1)[n:26][cH:27][n:28]2.[O:71]1[CH2:72][CH2:73][CH2:74][CH2:75]1.[cH:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1>>[O:1]=[c:2]1[n:3](-[c:36]2[cH:35][cH:34][c:33]([O:32][CH:29]([CH3:30])[CH3:31])[cH:38][cH:37]2)[c:4]2[n:5]([c:6]([CH2:23][CH2:24][CH3:25])[c:7]1[CH2:8][c:9]1[cH:10][cH:11][c:12](-[c:15]3[c:16]([C:21]#[N:22])[cH:17][cH:18][cH:19][cH:20]3)[cH:13][cH:14]1)[n:26][cH:27][n:28]2