HRID2149803

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

2 次

HCID1061

Phosphate

O4P-3

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID105144

Palladium(2+)

Pd+2

HCID21984481

未命名化合物

HCID23080945

未命名化合物

PRODUCTS

生成物

结构：CCc1nn2c(-c3c(OC)cc(COC)cc3OC)cccc2c1[N+](=O)[O-]

HCID21084109

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0bc5f93f36b2442a898c84ae9966ec90
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[n:7]1[n:8][c:9]([CH2:14][CH3:15])[c:10]2[N+:11](=[O:12])[O-:13].[C:61]([O-:62])(=[O:63])[CH3:64].[C:66]([O-:67])(=[O:68])[CH3:69].[CH3:16][O:17][c:18]1[c:19]([O:29][B:30]([OH:31])[OH:32])[c:20]([O:27][CH3:28])[cH:21][c:22]([CH2:24][O:25][CH3:26])[cH:23]1.[CH3:71][CH2:72][O:73][C:74](=[O:75])[CH3:76].[CH3:77][O:78][CH2:79][CH2:80][O:81][CH3:82].[K+:58].[K+:59].[K+:60].[OH2:52].[OH2:70].[P:53]([O-:54])([O-:55])([O-:56])=[O:57].[Pd+2:65].[c:33]1([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[cH:47][cH:48][cH:49][cH:50][cH:51]1>>[c:2]1(-[c:19]2[c:18]([O:17][CH3:16])[cH:23][c:22]([CH2:24][O:25][CH3:26])[cH:21][c:20]2[O:27][CH3:28])[cH:3][cH:4][cH:5][c:6]2[n:7]1[n:8][c:9]([CH2:14][CH3:15])[c:10]2[N+:11](=[O:12])[O-:13]