HRID2309918

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

4 次

HCID961

Hydroxide

HO-

HCID1049

Pyridine

C5H5N

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID166653

Hydride

H-

HCID135734293

未命名化合物

PRODUCTS

生成物

HCID25551

3-NITROQUINOLINE

C9H6N2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa2d3f6a9c5e40da9abe225eb4b5460a
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

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