HRID1124388

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

HCID9708

3-Chloro-4-fluoroaniline

C6H5ClFN

HCID105144

Palladium(2+)

Pd+2

HCID2733960

Thiophene-2-boronic acid

C4H5BO2S

结构：COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

PRODUCTS

生成物

HCID57829334

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-99cf5b84b8d14471bbf5f728c09b167e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[CH3:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[CH:9]1([P:10]([CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]2)[c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2-[c:23]2[c:24]([O:25][CH3:26])[cH:27][cH:28][cH:29][c:30]2[O:31][CH3:32])[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]1.[Cl:46][c:47]1[cH:48][c:49]([NH2:50])[cH:51][cH:52][c:53]1[F:54].[K+:43].[K+:44].[K+:45].[O-:56][C:57]([CH3:58])=[O:59].[O-:60][C:61]([CH3:62])=[O:63].[OH2:70].[P:38]([O-:39])([O-:40])([O-:41])=[O:42].[Pd+2:55].[s:1]1[c:2]([B:6]([OH:7])[OH:8])[cH:3][cH:4][cH:5]1>>[s:1]1[c:2](-[c:47]2[cH:48][c:49]([NH2:50])[cH:51][cH:52][c:53]2[F:54])[cH:3][cH:4][cH:5]1