HRID291015

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

HCID429740

2-Amino-5-bromobenzonitrile

C7H5BrN2

HCID2760897

Cyclopropylboronic acid

C3H7BO2

PRODUCTS

生成物

HCID45122193

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8ab700dc07b4d68a5f6b9a4e25eaee5
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

[C:52]([O-:53])(=[O:54])[CH3:55].[C:57]([O-:58])(=[O:59])[CH3:60].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[CH:11]1([B:14]([OH:15])[OH:16])[CH2:12][CH2:13]1.[CH:17]1([P:18]([CH:19]2[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]2)[CH:25]2[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]2)[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]1.[K+:41].[K+:42].[K+:43].[NH2:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([Br:10])[cH:8][cH:9]1.[OH2:51].[P:36]([O-:37])([O-:38])([O-:39])=[O:40].[Pd+2:56]>>[NH2:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([CH:11]2[CH2:12][CH2:13]2)[cH:8][cH:9]1