HRID180631

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID19660

Carbonate

CO3-2

HCID23978

Copper

HCID76601

Benzamide, 2,4-dihydroxy-

C7H7NO3

结构：CCc1cccc(CC)c1-c1cc(Cl)c(CN2CCOC(C)(C)C2)c(C)n1

HCID59678212

未命名化合物

PRODUCTS

生成物

结构：CCc1cccc(CC)c1-c1cc(Oc2ccc(C(N)=O)c(O)c2)c(CN2CCOC(C)(C)C2)c(C)n1

HCID59678200

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-54723123ba6b48bd823113a6647e68dd
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

[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[CH3:51][N:52]1[CH2:53][CH2:54][CH2:55][C:56]1=[O:57].[Cl:1][c:2]1[c:3]([CH2:19][N:20]2[CH2:21][C:22]([CH3:26])([CH3:27])[O:23][CH2:24][CH2:25]2)[c:4]([CH3:18])[n:5][c:6](-[c:8]2[c:9]([CH2:16][CH3:17])[cH:10][cH:11][cH:12][c:13]2[CH2:14][CH3:15])[cH:7]1.[Cu:58].[K+:39].[K+:40].[O-:41][C:42]([O-:43])=[O:44].[OH2:59].[OH:28][c:29]1[c:30]([C:31](=[O:32])[NH2:33])[cH:34][cH:35][c:36]([OH:38])[cH:37]1>>[c:2]1([O:38][c:36]2[cH:35][cH:34][c:30]([C:31](=[O:32])[NH2:33])[c:29]([OH:28])[cH:37]2)[c:3]([CH2:19][N:20]2[CH2:21][C:22]([CH3:26])([CH3:27])[O:23][CH2:24][CH2:25]2)[c:4]([CH3:18])[n:5][c:6](-[c:8]2[c:9]([CH2:16][CH3:17])[cH:10][cH:11][cH:12][c:13]2[CH2:14][CH3:15])[cH:7]1