HRID215420

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID31275

1,4-Dioxane

C4H8O2

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID75806

Phosphine, tricyclohexyl-

C18H33P

HCID105144

Palladium(2+)

Pd+2

结构：CNc1nc(Cl)nc(N2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)n1

HCID86644312

未命名化合物

PRODUCTS

生成物

结构：CNc1nc(-c2ccccc2)nc(N2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)n1

HCID25261287

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57c5065e8b67499cb27874583d08d42d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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