HRID133879

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

HCID6422

未命名化合物

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID105144

Palladium(2+)

Pd+2

结构：COc1nnc(-c2ccncc2)cc1-c1[nH]c2ccccc2c1I

HCID23102914

未命名化合物

PRODUCTS

生成物

结构：COc1nnc(-c2ccncc2)cc1-c1[nH]c2ccccc2c1-c1ccccc1

HCID23092477

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0914f8b8d7ba4872a1c60d4af7604e02
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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