HRID301292

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

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID12081

Benzoic acid, 4-bromo-, methyl ester

C8H7BrO2

HCID105144

Palladium(2+)

Pd+2

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

结构：Cc1c(N(Cc2ccc(O)cc2)Cc2ccc(F)cc2F)cccc1[N+](=O)[O-]

HCID18512160

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(Oc2ccc(CN(Cc3ccc(F)cc3F)c3cccc([N+](=O)[O-])c3C)cc2)cc1

HCID18511913

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-288012ef9e104e56a0a038be4599b316
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:48]([P:49]([C:50]([CH3:51])([CH3:52])[CH3:53])[c:54]1[cH:55][cH:56][cH:57][cH:58][c:59]1-[c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1)([CH3:66])([CH3:67])[CH3:68].[CH3:29][O:30][C:31]([c:32]1[cH:33][cH:34][c:35]([Br:38])[cH:36][cH:37]1)=[O:39].[CH3:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[F:1][c:2]1[c:3]([CH2:4][N:5]([c:6]2[c:7]([CH3:15])[c:8]([N+:12](=[O:13])[O-:14])[cH:9][cH:10][cH:11]2)[CH2:16][c:17]2[cH:18][cH:19][c:20]([OH:23])[cH:21][cH:22]2)[cH:24][cH:25][c:26]([F:28])[cH:27]1.[K+:45].[K+:46].[K+:47].[O-:70][C:71]([CH3:72])=[O:73].[O-:74][C:75]([CH3:76])=[O:77].[P:40]([O-:41])([O-:42])([O-:43])=[O:44].[Pd+2:69]>>[F:1][c:2]1[c:3]([CH2:4][N:5]([c:6]2[c:7]([CH3:15])[c:8]([N+:12](=[O:13])[O-:14])[cH:9][cH:10][cH:11]2)[CH2:16][c:17]2[cH:18][cH:19][c:20]([O:23][c:35]3[cH:34][cH:33][c:32]([C:31]([O:30][CH3:29])=[O:39])[cH:37][cH:36]3)[cH:21][cH:22]2)[cH:24][cH:25][c:26]([F:28])[cH:27]1