HRID1570684

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

HCID59473776

6-Bromo-8-fluoro-3,4-dihydro-1(2H)-isoquinolinone

C9H7BrFNO

PRODUCTS

生成物

HCID59473812

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e01f36e5bdf45498e58d087b55ea671
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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