HRID303692

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

2 次

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID75806

Phosphine, tricyclohexyl-

C18H33P

HCID105144

Palladium(2+)

Pd+2

HCID2760897

Cyclopropylboronic acid

C3H7BO2

HCID46311084

Methyl 2-bromo-4-(trifluoromethyl)benzoate

C9H6BrF3O2

PRODUCTS

生成物

HCID59438487

Methyl 2-cyclopropyl-4-(trifluoromethyl)benzoate

C12H11F3O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8546edf340124dc5b212de79632bd82d
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:58]([O-:59])(=[O:60])[CH3:61].[C:63]([O-:64])(=[O:65])[CH3:66].[CH3:1][O:2][C:3]([c:4]1[c:5]([Br:14])[cH:6][c:7]([C:10]([F:11])([F:12])[F:13])[cH:8][cH:9]1)=[O:15].[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH:16]1([B:19]([OH:20])[OH:21])[CH2:17][CH2:18]1.[CH:31]1([P:32]([CH:33]2[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]2)[CH:39]2[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]2)[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]1.[K+:28].[K+:29].[K+:30].[OH2:22].[OH2:57].[P:23]([O-:24])([O-:25])([O-:26])=[O:27].[Pd+2:62]>>[CH3:1][O:2][C:3]([c:4]1[c:5]([CH:16]2[CH2:17][CH2:18]2)[cH:6][c:7]([C:10]([F:11])([F:12])[F:13])[cH:8][cH:9]1)=[O:15]