HRID2312258

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID4356525

N-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide

C13H20BNO4S

结构：CSc1ncc2c(OCOCC[Si](C)(C)C)cc(Br)n2n1

HCID66712287

未命名化合物

PRODUCTS

生成物

结构：CSc1ncc2c(OCOCC[Si](C)(C)C)cc(-c3ccccc3NS(C)(=O)=O)n2n1

HCID66712259

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1525d7dedee4bbb83fa66788900691d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:20][c:21]1[cH:22][c:23]([O:32][CH2:33][O:34][CH2:35][CH2:36][Si:37]([CH3:38])([CH3:39])[CH3:40])[c:24]2[cH:25][n:26][c:27]([S:30][CH3:31])[n:28][n:29]12.[C:73]([O-:74])(=[O:75])[CH3:76].[C:78]([O-:79])(=[O:80])[CH3:81].[CH3:41][C:42]1([CH3:43])[C:44]([CH3:45])([CH3:46])[O:47][B:48]([c:49]2[c:50]([NH:55][S:56](=[O:57])(=[O:58])[CH3:59])[cH:51][cH:52][cH:53][cH:54]2)[O:60]1.[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[CH3:82][CH2:83][O:84][CH2:85][CH3:86].[Na+:66].[Na+:67].[O-:68][C:69](=[O:70])[O-:71].[OH2:72].[Pd+2:77].[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>>[c:21]1(-[c:49]2[c:50]([NH:55][S:56](=[O:57])(=[O:58])[CH3:59])[cH:51][cH:52][cH:53][cH:54]2)[cH:22][c:23]([O:32][CH2:33][O:34][CH2:35][CH2:36][Si:37]([CH3:38])([CH3:39])[CH3:40])[c:24]2[cH:25][n:26][c:27]([S:30][CH3:31])[n:28][n:29]12