HRID1209360

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

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID105144

Palladium(2+)

Pd+2

结构：Brc1cccc(-c2nn3c(NC4CCCC4)cccc3c2-c2ccnc(NC3CCCC3)n2)c1

HCID10142612

未命名化合物

PRODUCTS

生成物

结构：c1ccc(-c2cccc(-c3nn4c(NC5CCCC5)cccc4c3-c3ccnc(NC4CCCC4)n3)c2)cc1

HCID10142490

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be6db6c6c98b45d59836e5bdf21b51bd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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