HRID944588

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

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID105144

Palladium(2+)

Pd+2

HCID201262

Benzeneboronic acid, p-methoxy-

C7H9BO3

结构：c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1

HCID2734216

2-(Dicyclohexylphosphino)biphenyl

C24H31P

结构：Cc1c(OS(=O)(=O)C(F)(F)F)cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c12

HCID86594742

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2cn3ncc(C#N)c(Nc4ccc(Oc5ccccc5)cc4)c3c2C)cc1

HCID22179498

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca6f54330274498c9074c942043783d5
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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