HRID2156682

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

HCID947

Nitrogen

HCID961

Hydroxide

HO-

HCID8058

n-Hexane

C6H14

HCID31275

1,4-Dioxane

C4H8O2

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID105144

Palladium(2+)

Pd+2

HCID53363739

[4-Fluoro-2-methoxy-5-(propan-2-yl)phenyl]boronic acid

C10H14BFO3

结构：CC1C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1ccc(F)cc1Cl

HCID72525986

未命名化合物

PRODUCTS

生成物

结构：COc1cc(F)c(C(C)C)cc1-c1cc(F)ccc1CN1C(=O)OC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C

HCID73027344

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11cce467a823472fa1a5cd9daba4e339
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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