HRID92273

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

3 次

HCID947

Nitrogen

HCID962

Water

H2O

2 次

HCID1061

Phosphate

O4P-3

HCID6344

Dichloromethane

CH2Cl2

HCID31275

1,4-Dioxane

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID2734368

2-Methoxy-5-pyridineboronic acid

C6H8BNO3

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

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

结构：O=C(NCc1ccc(-c2cnc3cc(Cl)ccn23)cc1)Nc1cccc(C(F)(F)F)c1

HCID68539157

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2ccn3c(-c4ccc(CNC(=O)Nc5cccc(C(F)(F)F)c5)cc4)cnc3c2)cn1

HCID57863434

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-53999a2e26634fe18948ec9844eb0ea2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:32][O:33][c:34]1[cH:35][cH:36][c:37]([B:40]([OH:41])[OH:42])[cH:38][n:39]1.[CH:43]1([P:44]([CH:45]2[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2-[c:57]2[c:58]([O:59][CH3:60])[cH:61][cH:62][cH:63][c:64]2[O:65][CH3:66])[CH2:67][CH2:68][CH2:69][CH2:70][CH2:71]1.[Cl:1][c:2]1[cH:3][c:4]2[n:5]([cH:6][cH:7]1)[c:8](-[c:11]1[cH:12][cH:13][c:14]([CH2:15][NH:16][C:17](=[O:18])[NH:19][c:20]3[cH:21][c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][cH:24][cH:25]3)[cH:30][cH:31]1)[cH:9][n:10]2.[Cl:92][CH2:93][Cl:94].[K+:77].[K+:78].[K+:79].[N:80]#[N:81].[O-:83][C:84]([CH3:85])=[O:86].[O-:87][C:88]([CH3:89])=[O:90].[O:95]1[CH2:96][CH2:97][O:98][CH2:99][CH2:100]1.[OH2:101].[OH2:91].[P:72]([O-:73])([O-:74])([O-:75])=[O:76].[Pd+2:82]>>[c:2]1(-[c:37]2[cH:36][cH:35][c:34]([O:33][CH3:32])[n:39][cH:38]2)[cH:3][c:4]2[n:5]([cH:6][cH:7]1)[c:8](-[c:11]1[cH:12][cH:13][c:14]([CH2:15][NH:16][C:17](=[O:18])[NH:19][c:20]3[cH:21][c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][cH:24][cH:25]3)[cH:30][cH:31]1)[cH:9][n:10]2