HRID954578

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7912

Diisopropylamine

C6H15N

HCID105144

Palladium(2+)

Pd+2

HCID2734333

2,3-Difluorophenylboronic acid

C6H5BF2O2

结构：O=S(=O)(O)c1cccc(P(c2cccc(S(=O)(=O)O)c2)c2cccc(S(=O)(=O)O)c2)c1

HCID3675708

未命名化合物

HCID5360545

Sodium

3 次

HCID22293279

未命名化合物

PRODUCTS

生成物

结构：COCCn1cc(-c2cccc(F)c2F)cc([N+](=O)[O-])c1=O

HCID22293173

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e602caf7bd54d23adc4d5636519f556
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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