HRID684261

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1049

Pyridine

C5H5N

HCID6212

Chloroform

CHCl3

HCID8058

n-Hexane

C6H14

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID27099

Copper(2+)

Cu+2

HCID14769994

未命名化合物

HCID67531483

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1nc2c(Cl)cccc2n(-c2ccc(OC)cc2)c1=O

HCID67533339

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-baa940aa65ad4ed497273893a094c0aa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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