HRID197406

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID2734364

4-(Methylsulfonyl)phenylboronic acid

C7H9BO4S

HCID73035981

未命名化合物

PRODUCTS

生成物

结构：Cc1oc(-c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2)nc1CCN1CCC(CF)C1

HCID69469167

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9955120ce09d4c92afc4614da1fad1c7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:33][c:34]1[cH:35][cH:36][c:37](-[c:40]2[o:41][c:42]([CH3:54])[c:43]([CH2:45][CH2:46][N:47]3[CH2:48][CH:49]([CH2:52][F:53])[CH2:50][CH2:51]3)[n:44]2)[cH:38][cH:39]1.[C:55](=[O:56])([O-:57])[O-:58].[CH3:20][S:21](=[O:22])(=[O:23])[c:24]1[cH:25][cH:26][c:27]([B:30]([OH:31])[OH:32])[cH:28][cH:29]1.[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[CH3:76][CH2:77][O:78][CH2:79][CH3:80].[CH3:82][C:83]#[N:84].[K+:59].[K+:60].[O-:62][C:63]([CH3:64])=[O:65].[O-:66][C:67]([CH3:68])=[O:69].[OH2:81].[Pd+2:61].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[CH3:20][S:21](=[O:22])(=[O:23])[c:24]1[cH:25][cH:26][c:27](-[c:34]2[cH:35][cH:36][c:37](-[c:40]3[o:41][c:42]([CH3:54])[c:43]([CH2:45][CH2:46][N:47]4[CH2:48][CH:49]([CH2:52][F:53])[CH2:50][CH2:51]4)[n:44]3)[cH:38][cH:39]2)[cH:28][cH:29]1