HRID960832

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID28179

Fluoride

F-

HCID105144

Palladium(2+)

Pd+2

HCID2733267

2-Methylphenylboronic acid

C7H9BO2

HCID10490815

methyl 4-chloro-3-(methylsulfonyl)benzoate

C9H9ClO4S

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

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

PRODUCTS

生成物

结构：COC(=O)c1ccc(-c2ccccc2C)c(S(C)(=O)=O)c1

HCID67528382

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97cca35d94654272b2f28ebf296e2240
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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