HRID99000

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID23938

Palladium

2 次

HCID72879

Methanesulfonamide

CH5NO2S

2 次

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID166653

Hydride

H-

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

HCID5360545

Sodium

HCID86615010

未命名化合物

PRODUCTS

生成物

结构：CCCN(C)c1cc(C(=O)OC)cc(NS(C)(=O)=O)n1

HCID68814746

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-015067f5e8be4afdb8bde10fafd4db4f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:14][O:15][C:16]([c:17]1[cH:18][c:19]([Cl:28])[n:20][c:21]([N:23]([CH2:24][CH2:25][CH3:26])[CH3:27])[cH:22]1)=[O:29].[CH3:1][S:2](=[O:3])(=[O:4])[NH2:5].[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[CH3:8][S:9]([NH2:10])(=[O:11])=[O:12].[H-:6].[Na+:7].[Na:13].[O:101]=[C:102]([CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1)[CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1.[O:65]=[C:66]([CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1)[CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[O:83]=[C:84]([CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1)[CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[Pd:63].[Pd:64].[c:30]1(-[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:37][cH:38][cH:39][cH:40][c:41]1[P:42]([C:43]([CH3:44])([CH3:45])[CH3:46])[C:47]([CH3:48])([CH3:49])[CH3:50]>>[CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:19]1[cH:18][c:17]([C:16]([O:15][CH3:14])=[O:29])[cH:22][c:21]([N:23]([CH2:24][CH2:25][CH3:26])[CH3:27])[n:20]1