HRID308320

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

HCID75806

Phosphine, tricyclohexyl-

C18H33P

HCID105144

Palladium(2+)

Pd+2

HCID2760897

Cyclopropylboronic acid

C3H7BO2

HCID24997839

tert-Butyl 5-bromopyridine-2-carboxylate

C10H12BrNO2

PRODUCTS

生成物

HCID57827284

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ebad60717484c85a9bf4ceef4cee211
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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