HRID2316545

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

HCID25137688

Ethyl 3-amino-6-bromopyridine-2-carboxylate

C8H9BrN2O2

PRODUCTS

生成物

HCID67299907

Ethyl 3-amino-6-cyclopropylpyridine-2-carboxylate

C11H14N2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-467a805497e8497ea5d019f34bf5a031
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][c:8]([Br:13])[cH:9][cH:10][c:11]1[NH2:12].[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[CH:22]1([P:23]([CH:27]2[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]2)[CH:35]2[CH2:26][CH2:25][CH2:24][CH2:39][CH2:40]2)[CH2:33][CH2:34][CH2:36][CH2:37][CH2:38]1.[CH:41]1([B:42]([OH:43])[OH:44])[CH2:45][CH2:46]1.[K+:19].[K+:20].[K+:21].[O-:55][C:56]([CH3:57])=[O:58].[O-:59][C:60]([CH3:61])=[O:62].[OH2:63].[P:14]([O-:15])([O-:16])([O-:17])=[O:18].[Pd+2:54]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][c:8]([CH:39]2[CH2:35][CH2:40]2)[cH:9][cH:10][c:11]1[NH2:12]