HRID211520

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID67883

4-Fluorostyrene

C8H7F

HCID105144

Palladium(2+)

Pd+2

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

结构：CC(C)(C)OC(=O)Nc1cc2c(I)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cn1

HCID68926908

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1cc2c(C=Cc3ccc(F)cc3)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cn1

HCID68931004

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a22cc7b977d45e0998430c6f46b4df8
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][c:10]2[c:11]([cH:12][n:13]1)[n:14]([C:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[n:15][c:16]2[I:17])=[O:37].[C:47]([P:48]([C:49]([CH3:50])([CH3:51])[CH3:52])[c:53]1[cH:54][cH:55][cH:56][cH:57][c:58]1-[c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1)([CH3:65])([CH3:66])[CH3:67].[C:86]([O-:87])(=[O:88])[CH3:89].[C:91]([O-:92])(=[O:93])[CH3:94].[CH3:68][CH2:69][N:70]([CH2:71][CH3:72])[CH2:73][CH3:74].[CH3:75][N:76]([CH3:77])[CH:78]=[O:79].[CH3:80][CH2:81][O:82][C:83](=[O:84])[CH3:85].[F:38][c:39]1[cH:40][cH:41][c:42]([CH:43]=[CH2:44])[cH:45][cH:46]1.[Pd+2:90]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][c:10]2[c:11]([cH:12][n:13]1)[n:14]([C:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[n:15][c:16]2[CH:44]=[CH:43][c:42]1[cH:41][cH:40][c:39]([F:38])[cH:46][cH:45]1)=[O:37]