HRID1218984

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID27099

Copper(2+)

Cu+2

HCID3698726

4-Isopropoxyphenylboronic acid

C9H13BO3

结构：CCCc1nc(OC)[nH]c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

HCID136026720

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc(OC)n(-c2ccc(OC(C)C)cc2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

HCID57460843

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-18aec67349114a57adeb6f2d67f36c47
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:63]([O-:64])(=[O:65])[CH3:66].[C:68]([O-:69])(=[O:70])[CH3:71].[CH3:1][O:2][c:3]1[nH:4][c:5](=[O:27])[c:6]([CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:19]3[c:20]([C:25]#[N:26])[cH:21][cH:22][cH:23][cH:24]3)[cH:17][cH:18]2)[c:7]([CH2:9][CH2:10][CH3:11])[n:8]1.[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH:28]([CH3:29])([CH3:30])[O:31][c:32]1[cH:33][cH:34][c:35]([B:38]([OH:39])[OH:40])[cH:36][cH:37]1.[Cl:54][CH2:55][Cl:56].[Cu+2:67].[cH:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1>>[CH3:1][O:2][c:3]1[n:4](-[c:35]2[cH:34][cH:33][c:32]([O:31][CH:28]([CH3:29])[CH3:30])[cH:37][cH:36]2)[c:5](=[O:27])[c:6]([CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:19]3[c:20]([C:25]#[N:26])[cH:21][cH:22][cH:23][cH:24]3)[cH:17][cH:18]2)[c:7]([CH2:9][CH2:10][CH3:11])[n:8]1