HRID1200581

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID59457806

未命名化合物

HCID59457854

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1noc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)cc12

HCID59457807

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9077e76ee3dd48a18e0d383f5260d5ed
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

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([c:7]([CH:10]([CH3:11])[CH3:12])[n:8][o:9]2)[cH:13]1.[C:19](=[O:20])([O-:21])[O-:22].[CH2:47]1[O:48][CH2:49][CH2:50][O:51][CH2:52]1.[CH3:15][C:16](=[O:17])[O-:18].[Cs+:23].[Cs+:24].[F:25][c:26]1[c:27](-[c:33]2[n:34][c:35]3[o:36][cH:37][cH:38][n:39]3[c:40]2[I:41])[cH:28][cH:29][c:30]([F:32])[cH:31]1.[K+:14].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46].[OH2:53].[Pd:54]([Cl:55])[Cl:56].[c:57]1([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[cH:71][cH:72][cH:73][cH:74][cH:75]1.[c:76]1([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[cH:90][cH:91][cH:92][cH:93][cH:94]1>>[c:2]1(-[c:40]2[c:33](-[c:27]3[c:26]([F:25])[cH:31][c:30]([F:32])[cH:29][cH:28]3)[n:34][c:35]3[o:36][cH:37][cH:38][n:39]32)[cH:3][cH:4][c:5]2[c:6]([c:7]([CH:10]([CH3:11])[CH3:12])[n:8][o:9]2)[cH:13]1