HRID161737

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

2 次

HCID1140

Toluene

C7H8

HCID8070

N,N'-Dimethylethane-1,2-diamine

C4H12N2

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID97769

4-Ethyl-2-oxazolidinone

C5H9NO2

结构：Cc1cnc(N2CCN(C(=O)c3c(F)cc(Br)cc3F)CC2)c(C)c1

HCID58484761

未命名化合物

PRODUCTS

生成物

结构：CCC1COC(=O)N1c1cc(F)c(C(=O)N2CCN(c3ncc(C)cc3C)CC2)c(F)c1

HCID67380903

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e4f0d6af3ef4f349f0a281385766a8c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([F:25])[c:5]([C:9](=[O:10])[N:11]2[CH2:12][CH2:13][N:14]([c:17]3[n:18][cH:19][c:20]([CH3:24])[cH:21][c:22]3[CH3:23])[CH2:15][CH2:16]2)[c:6]([F:8])[cH:7]1.[C:34](=[O:35])([O-:36])[O-:37].[CH2:26]([CH3:27])[CH:28]1[NH:29][C:30](=[O:33])[O:31][CH2:32]1.[CH3:40][NH:41][CH2:42][CH2:43][NH:44][CH3:45].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[Cl-:46].[Cu:48][I:49].[K+:38].[K+:39].[NH4+:47]>>[c:2]1([N:29]2[CH:28]([CH2:26][CH3:27])[CH2:32][O:31][C:30]2=[O:33])[cH:3][c:4]([F:25])[c:5]([C:9](=[O:10])[N:11]2[CH2:12][CH2:13][N:14]([c:17]3[n:18][cH:19][c:20]([CH3:24])[cH:21][c:22]3[CH3:23])[CH2:15][CH2:16]2)[c:6]([F:8])[cH:7]1