HRID87248

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

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID75806

Phosphine, tricyclohexyl-

C18H33P

HCID105144

Palladium(2+)

Pd+2

HCID2760897

Cyclopropylboronic acid

C3H7BO2

结构：Cn1c(CCc2ccc(F)cc2)c(Br)c(=O)n1-c1ccc(F)cc1

HCID68677532

未命名化合物

PRODUCTS

生成物

结构：Cn1c(CCc2ccc(F)cc2)c(C2CC2)c(=O)n1-c1ccc(F)cc1

HCID16063512

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a22c3d1adfee4e3681671a29c4d06f7d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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