HRID1132026

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID4912908

1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C10H17BN2O2

结构：COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

结构：Cc1c(I)cc(C(=O)O)c(=O)n1-c1cccc(C(F)(F)F)c1

HCID58218046

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2ccnn2C)cc(C(=O)O)c(=O)n1-c1cccc(C(F)(F)F)c1

HCID59455875

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6928bc277812454b9a96cb3333225515
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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