HRID2310893

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8070

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

C4H12N2

HCID19660

Carbonate

CO3-2

HCID24350

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

CuI

HCID73949

2-Oxazolidinone

C3H5NO2

反应SMILES：CS(=O)(=O)c1cc(Br)ccc1C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1

HCID67380967

未命名化合物

PRODUCTS

产物

反应SMILES：CS(=O)(=O)c1cc(N2CCOC2=O)ccc1C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1

HCID54755004

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-77943777518843eea2f8c21c99bbced4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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