HRID1240598

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID69663

4-Methyloxazole

C4H5NO

HCID105144

Palladium(2+)

Pd+2

结构：CCOC(=O)N(Cc1ccc(C(F)(F)F)nc1)c1cc(Br)nc(N)c1[N+](=O)[O-]

HCID86614486

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)N(Cc1ccc(C(F)(F)F)nc1)c1cc(-c2nc(C)co2)nc(N)c1[N+](=O)[O-]

HCID67456477

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f18e14e54a024a6197d256cd83e68f52
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:7]([CH3:8])[O:9][C:10]([N:11]([CH2:12][c:13]1[cH:14][n:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]1)[c:23]1[c:24]([N+:31](=[O:32])[O-:33])[c:25]([NH2:30])[n:26][c:27]([Br:29])[cH:28]1)=[O:34].[CH3:1][c:2]1[n:3][cH:4][o:5][cH:6]1.[Cl-:35].[Cl-:36].[Pd+2:75].[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1.[c:56]1([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[cH:70][cH:71][cH:72][cH:73][cH:74]1>>[CH3:1][c:2]1[n:3][c:4](-[c:27]2[n:26][c:25]([NH2:30])[c:24]([N+:31](=[O:32])[O-:33])[c:23]([N:11]([C:10]([O:9][CH2:7][CH3:8])=[O:34])[CH2:12][c:13]3[cH:14][n:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]3)[cH:28]2)[o:5][cH:6]1