HRID694659

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

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID77014

1-Bromo-4-(methylsulphonyl)benzene

C7H7BrO2S

HCID105144

Palladium(2+)

Pd+2

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

HCID23136427

未命名化合物

PRODUCTS

生成物

结构：COCOc1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)OC)c1

HCID59263314

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49d9217eb64647fdb5f502863512006a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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