HRID208894

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

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID2734349

3,5-Dimethylphenylboronic acid

C8H11BO2

HCID68802622

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)cc(-c2cc(C)c(-n3ccnc3-c3ccc(F)cc3)c(C)c2)c1

HCID58750732

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae1ce47b81aa457c99b856688cc78c4a
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

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