HRID207388

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID12495

Benzene, 1-iodo-4-nitro-

C6H4INO2

HCID13831

Tributylphosphine

C12H27P

HCID19660

Carbonate

CO3-2

HCID24611

Copper bromide (CuBr2)

Br2Cu

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID11218765

2-Bromo-6-methoxybenzothiazole

C8H6BrNOS

PRODUCTS

生成物

结构：COc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)sc2c1

HCID10660852

6-Methoxy-2-(4-nitrophenyl) benzothiazole

C14H10N2O3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c2cfbcd50c8a4ae8bfd3b5807fd39e98
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

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