HRID2334648

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID303508

1,4-Butanesultam

C4H9NO2S

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

HCID5360545

Sodium

HCID86615006

未命名化合物

PRODUCTS

生成物

结构：CCC(C)Nc1cc(C(=O)OC)cc(N2CCCCS2(=O)=O)n1

HCID68814426

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca243813f562495ca15db1bc5b382dd3
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

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